UCSF

ZINC71528120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

Popular Name: 6,8-dichloro-N-[4-cyano-3-(cyanomethyl)-1H-pyrazol-5-yl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxami 6,8-dichloro-N-[4-cyano-3-(cyano…

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) 2.28 7.41 -13.74 2 8 0 123 374.191 3 ↓
Hi High (pH 8-9.5) 2.28 7.27 -37.2 1 8 -1 121 373.183 3 ↓

Activity (Go SEA)

Rings

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

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