UCSF

ZINC62321158

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 Yes

Popular Name: 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)pyridin-2-amine 4-(6,8-dihydro-5H-imidazo[1,2-a]…

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) -0.30 3.43 -32 3 5 1 61 230.295 2 ↓
Hi High (pH 8-9.5) -0.30 2.96 -11.58 2 5 0 60 229.287 2 ↓
Mid Mid (pH 6-8) -0.30 3.9 -76.43 4 5 2 62 231.303 2 ↓

Activity (Go SEA)

Rings

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

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