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Organism

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Chemical Name: 1,3-Benzenedibutanoic acid, .alpha.1,.alpha.3,.gamma.1,.gamma.3-tetraoxo-			Synonyms		AIDS# 007125
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 007125

C14 H10 O8		MW: 306.23			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 8	PHIA (Flexible Bonds): 5.67	Calc. LogP (MDL QSAR): 0.46
Company:			Calc. LogP (KowWin): -3.38
Lines of Data: 1	Lines of Data: 14	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 5	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; DIKETOACIDS

Chemical Name: 4-[3-(2-Methyl-benzyl)-phenyl]-2,4-dioxo-butyric acid			Synonyms Diketoacid B		AIDS# 010861
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 010861

C18 H16 O4		MW: 296.32			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 4	PHIA (Flexible Bonds): 4.96	Calc. LogP (MDL QSAR): 2.76
Company: MERCK			Calc. LogP (KowWin): 2.17
Lines of Data: 23	Lines of Data: 1	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 2	Number of References: 1	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; DIKETOACIDS

Chemical Name: 2-Butenoic acid, 4-[1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-, (2Z)-			Synonyms L-731, 988 L 731988 L-731988		AIDS# 086031
					Links to ChemID Plus by CAS# 251922-77-7
					Links to PubChem by AIDS# 086031

C15 H12 F N O4		MW: 289.26			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 5	PHIA (Flexible Bonds): 4.54	Calc. LogP (MDL QSAR): 1.35
Company: MERCK; BIOALLIANCE PHARMA			Calc. LogP (KowWin): 0.94
Lines of Data: 62	Lines of Data: 77	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 23	Number of References: 19	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; PYRROLES; DIKETOACIDS

Chemical Name: 4-(3,5-Bis-benzyloxy-phenyl)-2,4-dioxo-butyric acid			Synonyms L-708, 906 L-708906		AIDS# 086032
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 086032

C24 H20 O6		MW: 404.42			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 6	PHIA (Flexible Bonds): 7.34	Calc. LogP (MDL QSAR): 3.21
Company: MERCK			Calc. LogP (KowWin): 3.18
Lines of Data: 49	Lines of Data: 42	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 16	Number of References: 13	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: CCR5 CO-RECEPTOR INHIBITORS; INTEGRASE INHIBITORS; DIKETOACIDS

Chemical Name: 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-			Synonyms 2, 4-Dioxo-4-[1-(3-phenyl-propyl)-1H-pyrrol-2-yl]-butyric acid L 731927 L-731, 927		AIDS# 086033
					Links to ChemID Plus by CAS# 251924-35-3
					Links to PubChem by AIDS# 086033

C17 H17 N O4		MW: 299.32			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 4	PHIA (Flexible Bonds): 5.52	Calc. LogP (MDL QSAR): 1.59
Company: MERCK			Calc. LogP (KowWin): 1.72
Lines of Data: 1	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 1	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; DIKETOACIDS

Chemical Name: 4-(1-Biphenyl-4-ylmethyl-1H-pyrrol-2-yl)-2,4-dioxo-butyric acid			Synonyms L-731, 942		AIDS# 086034
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 086034

C21 H17 N O4		MW: 347.37			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 4	PHIA (Flexible Bonds): 5.31	Calc. LogP (MDL QSAR): 2.96
Company: MERCK			Calc. LogP (KowWin): 2.5
Lines of Data: 1	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 1	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; BIPHENYLS; DIKETOACIDS

Chemical Name: 4-(3-Benzyl-phenyl)-2,4-dioxo-butyric acid			Synonyms		AIDS# 105221
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 105221

C17 H14 O4		MW: 282.29			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 4	PHIA (Flexible Bonds): 4.74	Calc. LogP (MDL QSAR): 2.59
Company: MERCK			Calc. LogP (KowWin): 1.62
Lines of Data: 3	Lines of Data: 6	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 3	Number of References: 3	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; DIKETOACIDS

Chemical Name: 4-[3-(3-Chloro-benzyl)-phenyl]-2,4-dioxo-butyric acid			Synonyms		AIDS# 105226
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 105226

C17 H13 Cl O4		MW: 316.74			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 5.2	Calc. LogP (MDL QSAR): 2.76
Company: MERCK			Calc. LogP (KowWin): 2.26
Lines of Data: 2	Lines of Data: 1	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 2	Number of References: 1	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; DIKETOACIDS

Chemical Name: 4-[3-(4-Chloro-benzyl)-phenyl]-2,4-dioxo-butyric acid			Synonyms		AIDS# 105227
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 105227

C17 H13 Cl O4		MW: 316.74			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 5.2	Calc. LogP (MDL QSAR): 2.76
Company: MERCK			Calc. LogP (KowWin): 2.26
Lines of Data: 1	Lines of Data: 2	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 2	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; DIKETOACIDS

Chemical Name: 4-[3-(3-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric acid			Synonyms		AIDS# 105229
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 105229

C17 H13 F O4		MW: 300.28			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 4.91	Calc. LogP (MDL QSAR): 2.25
Company: MERCK			Calc. LogP (KowWin): 1.82
Lines of Data: 2	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 2	Number of References: 2	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: INTEGRASE INHIBITORS; DIKETOACIDS

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