UCSF

ZINC52424984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 Yes

Popular Name: N-[[1-[2-(azocan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(azocan-1-yl)ethyl]tria…

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) 1.98 6.96 -94.54 3 5 2 52 267.421 6 ↓
Hi High (pH 8-9.5) 1.98 5.58 -42.27 2 5 1 47 266.413 6 ↓

Activity (Go SEA)

Rings

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

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