UCSF

ZINC13277526

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 27 No

Popular Name: 3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(2-thienyl)-5H-pyrrol-1-yl]-4-methyl-benzoic 3-[(5S)-4-(cyclopropanecarbonyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 11 -121.13 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.57 9.81 -69.77 0 6 -1 95 382.417 5 ↓
Mid Mid (pH 6-8) 3.15 8.53 -74.96 1 6 -1 98 382.417 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.