UCSF

ZINC71589738

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 20 Yes

Popular Name: 2-[3-(2-pyridyl)azetidin-1-yl]-4-(trifluoromethyl)pyridine 2-[3-(2-pyridyl)azetidin-1-yl]-4…

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) 2.27 7.42 -6.79 0 3 0 29 279.265 3 ↓
Lo Low (pH 4.5-6) 2.27 7.85 -37.49 1 3 1 30 280.273 3 ↓

Activity (Go SEA)

Rings

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

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