UCSF

ZINC20219505

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5S)-3-hydroxy-4-(2-methylimidazo[3,2-a]pyridine-3-carbonyl)-1-(2-morpholinoethyl)-5-(p-tolyl)-5H-py (5S)-3-hydroxy-4-(2-methylimidaz…

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) 2.53 8.5 -61.51 0 8 -1 90 459.526 6 ↓
Mid Mid (pH 6-8) 2.53 10.85 -73.15 1 8 0 91 460.534 6 ↓
Lo Low (pH 4.5-6) 2.53 10.03 -55.65 2 8 1 89 461.542 6 ↓

Activity (Go SEA)

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