UCSF

ZINC20128193

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.17 5.4 -15.31 2 5 0 62 268.32 5 ↓
Hi High (pH 8-9.5) 2.17 5.92 -52.57 1 5 -1 65 267.312 5 ↓
Lo Low (pH 4.5-6) 2.17 6.83 -64.11 3 5 1 67 269.328 5 ↓

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Rings

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

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