UCSF

ZINC00791521

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 30 No

Popular Name: (5R)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-1-[(2S)-2-hydroxypropyl]-2-keto-3-pyrrolin-3- (5R)-4-(4-chlorobenzoyl)-5-(3-et…

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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) 2.50 4.07 -57.39 2 7 -1 110 430.864 7 ↓
Mid Mid (pH 6-8) 2.95 3.03 -28.09 3 7 0 107 431.872 6 ↓
Mid Mid (pH 6-8) 1.92 4 -24.33 2 7 0 104 431.872 7 ↓

Activity (Go SEA)

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