UCSF

ZINC36968880

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 Yes

Popular Name: 2-[[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenol 2-[[[(1S)-1-([1,2,4]triazolo[4,3…

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) 2.33 6.15 -47.95 3 5 1 67 269.328 4 ↓
Hi High (pH 8-9.5) 2.33 4.82 -16.59 2 5 0 62 268.32 4 ↓

Activity (Go SEA)

Rings

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

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