UCSF

ZINC71529266

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]-2-methyl-imidazo[1,2-a]pyridine-7-carboxamide N-[4-cyano-3-(cyanomethyl)-1H-py…

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) 0.76 6.76 -18.9 2 8 0 123 305.301 3 ↓
Hi High (pH 8-9.5) 0.76 6.61 -45.26 1 8 -1 121 304.293 3 ↓
Lo Low (pH 4.5-6) 0.76 7.2 -42.11 3 8 1 124 306.309 3 ↓

Activity (Go SEA)

Rings

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

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