UCSF

ZINC02481498

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 28 No

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

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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) 1.46 2.79 -64.25 2 7 -1 110 382.392 7 ↓
Mid Mid (pH 6-8) 0.88 -4.4 -23.94 2 7 0 104 383.4 7 ↓
Mid Mid (pH 6-8) 1.91 -4.63 -32.33 3 7 0 107 383.4 6 ↓

Activity (Go SEA)

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