UCSF

ZINC02481502

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 29 No

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

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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) 2.14 3.7 -61.57 2 7 -1 110 416.837 7 ↓
Mid Mid (pH 6-8) 1.55 -4.23 -25.78 2 7 0 104 417.845 7 ↓
Mid Mid (pH 6-8) 2.58 -4.52 -32.36 3 7 0 107 417.845 6 ↓

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