UCSF

ZINC65314427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 21 Yes

Popular Name: N-isobutyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-isobutyl-N'-([1,2,4]triazolo[4…

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) 1.21 6.76 -14.48 2 7 0 92 289.339 5 ↓
Hi High (pH 8-9.5) 1.22 6.32 -60.77 1 7 -1 95 288.331 6 ↓

Activity (Go SEA)

Rings

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

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