UCSF

ZINC40111823

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 No

Popular Name: (2R)-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-hydroxyethyl)-3-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2H-py (2R)-2-(2,3-dimethoxyphenyl)-4-h…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.28 3.77 -65.06 1 10 -1 137 515.564 9 ↓
Lo Low (pH 4.5-6) 1.28 3 -20.35 2 10 0 134 516.572 9 ↓

Activity (Go SEA)

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