UCSF

ZINC13276816

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 32 No

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

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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) 4.67 13.58 -110.9 0 6 -2 101 445.858 5 ↓
Mid Mid (pH 6-8) 4.08 12.9 -61.37 0 6 -1 95 446.866 5 ↓
Mid Mid (pH 6-8) 4.67 11.57 -68.67 1 6 -1 98 446.866 4 ↓

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

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