UCSF

ZINC71553656

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 23 Yes

Popular Name: [3-(dimethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]-(4-ethylpiperazin-1-yl)methanone [3-(dimethylaminomethyl)imidazo[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.29 7.78 -36.78 1 6 1 45 316.429 4 ↓
Mid Mid (pH 6-8) 1.29 5.31 -10.7 0 6 0 44 315.421 4 ↓
Mid Mid (pH 6-8) 1.29 9.85 -79.12 2 6 2 46 317.437 4 ↓

Activity (Go SEA)

Rings

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

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