UCSF

ZINC06786072

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione 4-[(4-chlorophenyl)-hydroxy-meth…

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Download: MOL2 SDF SMILES Flexibase

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) 2.83 6.02 -58.07 1 6 -1 90 400.838 7 ↓
Mid Mid (pH 6-8) 3.28 -1.63 -20.33 2 6 0 87 401.846 6 ↓

Activity (Go SEA)

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