UCSF

ZINC13723327

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (5R)-4-(2,4-dimethoxybenzoyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-5-(2-thienyl)-5H-pyrrol-2-one (5R)-4-(2,4-dimethoxybenzoyl)-3-…

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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) 2.27 11 -78.79 1 8 0 98 453.52 9 ↓
Mid Mid (pH 6-8) 2.72 9.26 -31.75 1 8 0 94 453.52 8 ↓
Mid Mid (pH 6-8) 1.69 10.47 -27.58 0 8 0 91 453.52 9 ↓
Mid Mid (pH 6-8) 2.72 9.77 -61.24 2 8 1 95 454.528 8 ↓
Mid Mid (pH 6-8) 1.69 10.99 -62.12 1 8 1 92 454.528 9 ↓
Mid Mid (pH 6-8) 2.27 10.5 -66.46 0 8 -1 97 452.512 9 ↓

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