UCSF

ZINC09458027

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 No

Popular Name: 5-(3,4-dimethoxyphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-4-(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) 1.72 4.88 -66.04 1 9 -1 118 470.498 12 ↓
Mid Mid (pH 6-8) 2.16 3.78 -35.83 2 9 0 115 471.506 11 ↓

Activity (Go SEA)

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