UCSF

ZINC16733761

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 No

Popular Name: 2-[4-[(2S)-3-(4-bromobenzoyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide 2-[4-[(2S)-3-(4-bromobenzoyl)-4-…

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) 1.96 5.98 -49.22 2 8 -1 122 488.314 9 ↓
Mid Mid (pH 6-8) 2.41 4.27 -35.2 3 8 0 119 489.322 8 ↓
Mid Mid (pH 6-8) 1.38 5.25 -30.17 2 8 0 116 489.322 9 ↓

Activity (Go SEA)

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