UCSF

ZINC44419780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 17 Yes

Popular Name: 2-[2-cyanoethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[2-cyanoethyl(methyl)amino]-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) 1.18 8.07 -9.53 0 4 0 64 226.283 3 ↓

Activity (Go SEA)

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