UCSF

ZINC16730943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5S)-5-(4-benzyloxyphenyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one (5S)-5-(4-benzyloxyphenyl)-4-(3,…

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) 3.93 10.37 -65.15 0 8 -1 97 516.57 12 ↓
Mid Mid (pH 6-8) 4.38 9.78 -30.65 1 8 0 95 517.578 11 ↓
Mid Mid (pH 6-8) 3.35 10.78 -23.53 0 8 0 91 517.578 12 ↓

Activity (Go SEA)

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