UCSF

ZINC55042625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 Yes

Popular Name: 1-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-imidazo[4,5-b]pyridine-6-carboxylic 1-(2-dimethylaminoethyl)-3-[(4-f…

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) 1.65 11.44 -57.62 1 7 0 84 358.373 6 ↓
Hi High (pH 8-9.5) 1.65 8.95 -40.7 0 7 -1 83 357.365 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.