UCSF

ZINC20128194

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 Yes

Popular Name: 4-[[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethylamino]methyl]benzene-1,3-diol 4-[[2-([1,2,4]triazolo[4,5-a]pyr…

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) 1.67 2.2 -21.93 3 6 0 83 284.319 5 ↓
Hi High (pH 8-9.5) 1.67 2.99 -59.4 2 6 -1 86 283.311 5 ↓
Lo Low (pH 4.5-6) 1.67 3.69 -59.49 4 6 1 87 285.327 5 ↓

Activity (Go SEA)

Rings

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

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