UCSF

ZINC04558875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 14 Yes

Popular Name: 3-[2-(pyridin-4-yl)ethenyl]pyridine 3-[2-(pyridin-4-yl)ethenyl]pyridine

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03938962

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) 1.79 5.5 -5.77 0 2 0 26 182.226 2 ↓
Lo Low (pH 4.5-6) 1.79 6.07 -84.54 2 2 2 28 184.242 2 ↓
Lo Low (pH 4.5-6) 1.79 5.78 -35.71 1 2 1 27 183.234 2 ↓
Lo Low (pH 4.5-6) 1.79 5.79 -34.4 1 2 1 27 183.234 2 ↓

Activity (Go SEA)

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