UCSF

ZINC09243829

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-phenyl-pyrrolidine-2,3-dione 4-[(4-butoxyphenyl)-hydroxy-meth…

Find On: PubMed — Wikipedia — Google

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) 4.17 12.45 -78.42 1 6 0 74 436.552 11 ↓
Mid Mid (pH 6-8) 4.62 11.8 -43.08 2 6 1 71 437.56 10 ↓
Mid Mid (pH 6-8) 3.59 1.21 -44.75 1 6 1 68 437.56 11 ↓

Activity (Go SEA)

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