UCSF

ZINC61409317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 Yes

Popular Name: N-benzyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine N-benzyl-2-([1,2,4]triazolo[4,3-…

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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) 2.87 9.97 -52.04 2 4 1 47 285.396 6 ↓
Hi High (pH 8-9.5) 2.87 8.61 -13.37 1 4 0 42 284.388 6 ↓

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

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