UCSF

ZINC13278051

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Substance Information

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

Popular Name: 2-[(2S)-3-(cyclopropanecarbonyl)-2-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothi 2-[(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) 3.67 11.75 -104.27 0 7 -2 113 454.41 5 ↓
Mid Mid (pH 6-8) 3.08 10.12 -48.66 0 7 -1 107 455.418 5 ↓
Mid Mid (pH 6-8) 3.67 10.01 -55.1 1 7 -1 111 455.418 4 ↓

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

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