UCSF

ZINC11914615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 30 No

Popular Name: (5R)-3-hydroxy-1-(2-hydroxyethyl)-4-(4-isobutoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one (5R)-3-hydroxy-1-(2-hydroxyethyl…

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) 3.37 -1.67 -12.42 2 6 0 87 409.482 8 ↓
Mid Mid (pH 6-8) 2.79 -1.75 -18.45 1 6 0 84 409.482 8 ↓

Activity (Go SEA)

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