UCSF

ZINC08818093

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 28 No

Popular Name: 4-(4-chlorobenzoyl)-5-(3-chlorophenyl)-3-hydroxy-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-chlorobenzoyl)-5-(3-chlorop…

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Other Names:

MFCD01955714

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) 4.46 10.18 -51.81 0 5 -1 73 430.292 4 ↓
Mid Mid (pH 6-8) 4.91 9.38 -14.92 1 5 0 71 431.3 3 ↓
Mid Mid (pH 6-8) 3.88 10.44 -9.89 0 5 0 67 431.3 4 ↓

Activity (Go SEA)

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