UCSF

ZINC62319460

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)propanenitrile (2S)-3-(6,8-dihydro-5H-imidazo[1…

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) 0.65 3.75 -30.08 2 5 1 58 248.354 5 ↓
Hi High (pH 8-9.5) 0.65 3.29 -16.85 1 5 0 57 247.346 5 ↓
Lo Low (pH 4.5-6) 0.65 5.35 -91.98 3 5 2 63 249.362 5 ↓

Activity (Go SEA)

Rings

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

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