UCSF

ZINC04541048

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 30 No

Popular Name: 4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one 4-(2,5-dimethylbenzoyl)-3-hydrox…

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) 2.53 6.18 -48.44 1 7 -1 99 410.446 7 ↓
Mid Mid (pH 6-8) 2.97 -0.89 -21.52 2 7 0 96 411.454 6 ↓
Mid Mid (pH 6-8) 1.94 -1.25 -16.92 1 7 0 93 411.454 7 ↓

Activity (Go SEA)

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