UCSF

ZINC69093839

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 Yes

Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanenitrile (2S)-2-cyclopropyl-2-(isopropyla…

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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) 2.86 8.14 -15.27 1 5 0 66 301.419 6 ↓
Lo Low (pH 4.5-6) 2.86 9.08 -46.88 2 5 1 71 302.427 6 ↓

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

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