UCSF

ZINC62321155

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 Yes

Popular Name: 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-ethyl-pyridin-2-amine 3-(6,8-dihydro-5H-imidazo[1,2-a]…

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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) 0.45 5.91 -74.96 3 5 2 48 259.357 4 ↓
Hi High (pH 8-9.5) 0.45 5.08 -11.59 1 5 0 46 257.341 4 ↓
Mid Mid (pH 6-8) 0.45 5.54 -31.94 2 5 1 47 258.349 4 ↓

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

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