UCSF

ZINC61407123

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazin-2-yl]methanamine [3-([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) 1.22 3.91 -57.75 3 6 1 84 259.318 3 ↓
Mid Mid (pH 6-8) 1.22 3.51 -17.59 2 6 0 82 258.31 3 ↓

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Rings

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

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