UCSF

ZINC13208882

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 14 Yes

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

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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 5.8 -7.23 0 2 0 26 182.226 2 ↓
Lo Low (pH 4.5-6) 1.79 6.1 -36.47 1 2 1 27 183.234 2 ↓
Lo Low (pH 4.5-6) 1.79 6.38 -80.17 2 2 2 28 184.242 2 ↓
Lo Low (pH 4.5-6) 1.79 6.08 -38.56 1 2 1 27 183.234 2 ↓

Activity (Go SEA)

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