UCSF

ZINC11535824

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 14 Yes

Popular Name: 3-[2-(4-pyridyl)ethyl]pyridine 3-[2-(4-pyridyl)ethyl]pyridine

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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) 1.40 0.44 -6.81 0 2 0 26 184.242 3 ↓
Lo Low (pH 4.5-6) 1.40 0.55 -37.35 1 2 1 27 185.25 3 ↓
Lo Low (pH 4.5-6) 1.40 0.55 -36.38 1 2 1 27 185.25 3 ↓
Lo Low (pH 4.5-6) 1.40 0.66 -79.35 2 2 2 28 186.258 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5610294; US5811422; US6043227; WO1993007128A1 IBM Patent Data

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Rings

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