UCSF

ZINC61407099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 18 Yes

Popular Name: [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-4-pyridyl]methanamine [2-([1,2,4]triazolo[4,3-a]pyridi…

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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) 1.62 5.92 -63.91 3 5 1 71 258.33 3 ↓
Mid Mid (pH 6-8) 1.62 5.53 -16.97 2 5 0 69 257.322 3 ↓

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Rings

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

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