UCSF

ZINC69082993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 17 Yes

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

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) -0.11 3.54 -30.95 3 5 1 72 232.311 3 ↓
Hi High (pH 8-9.5) -0.11 2.7 -15.5 2 5 0 71 231.303 3 ↓
Lo Low (pH 4.5-6) -0.11 3.87 -96.13 4 5 2 74 233.319 3 ↓

Activity (Go SEA)

Rings

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

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