UCSF

ZINC69083012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: (2R)-2-cyclopropyl-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)propanenitrile (2R)-2-cyclopropyl-3-(6,8-dihydr…

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) 0.64 6.09 -30.47 2 5 1 58 260.365 5 ↓
Hi High (pH 8-9.5) 0.64 5.63 -14.08 1 5 0 57 259.357 5 ↓
Lo Low (pH 4.5-6) 0.64 7.29 -90.39 3 5 2 63 261.373 5 ↓

Activity (Go SEA)

Rings

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

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