UCSF

ZINC52373954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 20 Yes

Popular Name: N-[[1-[2-(4-propyl-1-piperidyl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(4-propyl-1-piperidyl)e…

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) 2.45 7.8 -96.57 3 5 2 52 281.448 8 ↓
Hi High (pH 8-9.5) 2.45 6.42 -46.45 2 5 1 47 280.44 8 ↓

Activity (Go SEA)

Rings

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

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