UCSF

ZINC09110205

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 29 No

Popular Name: 5-(3,4-dimethoxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-hydroxypropyl)pyrrolidine-2,3-dione 5-(3,4-dimethoxyphenyl)-4-(hydro…

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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) 1.66 5.17 -63.78 1 7 -1 99 396.419 8 ↓
Mid Mid (pH 6-8) 1.08 5.44 -15.31 1 7 0 93 397.427 8 ↓
Mid Mid (pH 6-8) 2.11 4.75 -22.2 2 7 0 96 397.427 7 ↓

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