UCSF

ZINC61407261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: [4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]phenyl]methanamine [4-[2-([1,2,4]triazolo[4,3-a]pyr…

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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) 2.55 7.51 -57.58 3 5 1 67 301.395 6 ↓
Hi High (pH 8-9.5) 2.55 7.11 -14.92 2 5 0 65 300.387 6 ↓

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

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