UCSF

ZINC09282193

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 No

Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-3-hydrox…

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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) 3.08 8.35 -60.17 0 8 -1 97 468.526 11 ↓
Mid Mid (pH 6-8) 3.52 7.32 -30.3 1 8 0 95 469.534 10 ↓
Mid Mid (pH 6-8) 2.49 0.44 -22.95 0 8 0 91 469.534 11 ↓

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