UCSF

ZINC69093828

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 Yes

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.56 7.44 -15.35 1 5 0 66 287.392 6 ↓
Lo Low (pH 4.5-6) 2.56 8.46 -48.43 2 5 1 71 288.4 6 ↓

Activity (Go SEA)

Rings

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

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