UCSF

ZINC06728378

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 27 No

Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(2-methoxyphenyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-3-hydroxy-1-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.43 5.16 -61.07 1 6 -1 90 386.811 6 ↓
Mid Mid (pH 6-8) 2.88 -2.6 -29.38 2 6 0 87 387.819 5 ↓
Mid Mid (pH 6-8) 1.85 -2.39 -18.41 1 6 0 83 387.819 6 ↓

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