UCSF

ZINC18212644

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 29 No

Popular Name: 4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-chlorobenzoyl)-5-(2,4-dimet…

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Other Names:

MFCD02159105

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) 2.47 4.52 -61.85 1 7 -1 99 416.837 7 ↓
Mid Mid (pH 6-8) 1.88 6.27 -12.97 1 7 0 93 417.845 7 ↓
Mid Mid (pH 6-8) 2.47 5.93 -13.87 2 7 0 96 417.845 7 ↓

Activity (Go SEA)

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