UCSF

ZINC69189988

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Substance Information

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

Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide (2S)-2-cyclopropyl-2-(methylamin…

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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) 1.13 4.63 -52.57 4 6 1 90 292.388 6 ↓
Mid Mid (pH 6-8) 1.13 3.67 -18.76 3 6 0 85 291.38 6 ↓

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

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