UCSF

ZINC05408731

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 No

Popular Name: 4-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-5-(4-fluorophenyl)-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) 2.19 6.81 -57.83 0 6 -1 79 370.356 5 ↓
Mid Mid (pH 6-8) 2.63 1.97 -20.58 1 6 0 76 371.364 4 ↓
Mid Mid (pH 6-8) 1.60 1.29 -13.76 0 6 0 72 371.364 5 ↓

Activity (Go SEA)

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