UCSF

ZINC62321161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 Yes

Popular Name: 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methyl-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) 0.07 4.34 -32.09 2 5 1 47 244.322 3 ↓
Hi High (pH 8-9.5) 0.07 3.87 -11.83 1 5 0 46 243.314 3 ↓
Mid Mid (pH 6-8) 0.07 4.81 -75.86 3 5 2 48 245.33 3 ↓

Activity (Go SEA)

Rings

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

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