UCSF

ZINC05408838

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 26 No

Popular Name: 5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy-(3-methoxyphenyl)-methylene]-pyrrolidine-2,3-dione 5-(4-hydroxy-3-methoxy-phenyl)-4…

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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) 1.51 1.57 -63.33 2 7 -1 108 354.338 5 ↓
Mid Mid (pH 6-8) 1.95 -3.65 -19.53 3 7 0 105 355.346 4 ↓
Mid Mid (pH 6-8) 0.92 -3.57 -24.64 2 7 0 101 355.346 5 ↓

Activity (Go SEA)

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