UCSF

ZINC69740015

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 Yes

Popular Name: 7-(3H-imidazo[4,5-b]pyridin-2-ylmethyl)-3-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-(3H-imidazo[4,5-b]pyridin-2-yl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.47 7.85 -67.48 2 7 1 77 298.374 3 ↓
Hi High (pH 8-9.5) 0.47 5.68 -20.44 1 7 0 76 297.366 3 ↓
Mid Mid (pH 6-8) 0.47 7.31 -48.6 1 7 0 75 297.366 3 ↓

Activity (Go SEA)

Rings

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

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