UCSF

ZINC61407952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 Yes

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanenitrile (2S)-2-(cyclopropylamino)-2-meth…

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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) 2.05 7 -16 1 5 0 66 273.365 5 ↓
Lo Low (pH 4.5-6) 2.05 8.16 -49.19 2 5 1 71 274.373 5 ↓

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

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