UCSF

ZINC06196414

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 29 No

Popular Name: 4-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-5-(4-ethoxyphenyl)-1-methyl-pyrrolidine-2,3-dione 4-[(3,4-dimethoxyphenyl)-hydroxy…

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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) 2.46 7.01 -59.58 0 7 -1 88 396.419 7 ↓
Mid Mid (pH 6-8) 2.90 1.25 -20.51 1 7 0 85 397.427 6 ↓

Activity (Go SEA)

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