UCSF

ZINC09271700

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 27 No

Popular Name: 5-(4-bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-bromophenyl)-4-(4-chloroben…

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Other Names:

MFCD03291637

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) 3.85 8.86 -51.84 0 5 -1 70 449.708 6 ↓
Mid Mid (pH 6-8) 4.30 -0.88 -20.06 1 5 0 66 450.716 5 ↓
Mid Mid (pH 6-8) 3.27 -1.11 -12.38 0 5 0 63 450.716 6 ↓

Activity (Go SEA)

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