UCSF

ZINC09470770

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 No

Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-nitrobenzoyl)-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) 1.24 5.39 -55.03 1 11 -1 154 471.442 11 ↓
Mid Mid (pH 6-8) 1.69 4.34 -32.29 2 11 0 151 472.45 10 ↓
Mid Mid (pH 6-8) 0.66 5.32 -23.51 1 11 0 148 472.45 11 ↓

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