UCSF

ZINC20128233

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 Yes

Popular Name: (1S)-1-(5-methyl-2-furyl)-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]ethanamine (1S)-1-(5-methyl-2-furyl)-N-[2-(…

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) 2.27 7.54 -14.09 1 5 0 55 270.336 5 ↓
Lo Low (pH 4.5-6) 2.27 8.85 -54.72 2 5 1 60 271.344 5 ↓

Activity (Go SEA)

Rings

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

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