UCSF

ZINC08926735

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

Popular Name: 4-(4-butoxy-3-methyl-benzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one 4-(4-butoxy-3-methyl-benzoyl)-1-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.31 10.08 -47.41 2 7 1 84 452.575 11 ↓
Mid Mid (pH 6-8) 2.73 10.73 -57.59 1 7 1 81 452.575 11 ↓
Lo Low (pH 4.5-6) 3.31 10.37 -107.75 3 7 2 85 453.583 11 ↓
Lo Low (pH 4.5-6) 2.73 11.03 -121.12 2 7 2 82 453.583 11 ↓

Activity (Go SEA)

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