UCSF

ZINC08926697

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 30 No

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

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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) 2.65 5.91 -56.88 1 7 -1 99 430.864 8 ↓
Mid Mid (pH 6-8) 2.07 5.52 -25.43 1 7 0 93 431.872 8 ↓
Mid Mid (pH 6-8) 3.10 4.54 -30.05 2 7 0 96 431.872 7 ↓

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