UCSF

ZINC04908342

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 No

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

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Other Names:

MFCD00820654

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) 2.54 6.34 -44.07 1 5 -1 81 374.775 5 ↓
Mid Mid (pH 6-8) 2.98 -1.99 -27.92 2 5 0 77 375.783 4 ↓
Mid Mid (pH 6-8) 1.96 -1.79 -17.85 1 5 0 74 375.783 5 ↓

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