UCSF

ZINC13275900

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 31 No

Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoi 3-[(2S)-3-(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) 3.47 10.14 -130.38 0 7 -2 110 427.359 7 ↓
Mid Mid (pH 6-8) 2.88 9.17 -84.74 0 7 -1 104 428.367 7 ↓
Mid Mid (pH 6-8) 3.47 7.84 -92.04 1 7 -1 107 428.367 6 ↓

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

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