UCSF

ZINC13275879

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Substance Information

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

Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-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) 2.67 9.96 -139.08 0 8 -2 119 421.405 7 ↓
Mid Mid (pH 6-8) 2.09 8.88 -85.73 0 8 -1 113 422.413 7 ↓
Mid Mid (pH 6-8) 2.67 7.47 -91.38 1 8 -1 116 422.413 6 ↓

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

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