UCSF

ZINC08951533

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 32 No

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

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) 3.21 8.73 -49.53 0 7 -1 88 438.5 9 ↓
Mid Mid (pH 6-8) 3.66 8.53 -22.08 1 7 0 85 439.508 8 ↓
Mid Mid (pH 6-8) 2.63 9.11 -13.65 0 7 0 82 439.508 9 ↓

Activity (Go SEA)

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