UCSF

ZINC20128210

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(1S)-1-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethylamino]ethyl]phenol 2-[(1S)-1-[2-([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) 2.73 6.08 -16.76 2 5 0 62 282.347 5 ↓
Hi High (pH 8-9.5) 2.73 6.87 -55.31 1 5 -1 65 281.339 5 ↓
Lo Low (pH 4.5-6) 2.73 7.36 -58.19 3 5 1 67 283.355 5 ↓

Activity (Go SEA)

Rings

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

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