UCSF

ZINC05332423

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 16 Yes

Popular Name: 4-[4-(4-pyridyl)buta-1,3-dienyl]pyridine 4-[4-(4-pyridyl)buta-1,3-dienyl]…

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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) 2.44 7.23 -7.62 0 2 0 26 208.264 3 ↓
Lo Low (pH 4.5-6) 2.44 7.53 -37.15 1 2 1 27 209.272 3 ↓
Lo Low (pH 4.5-6) 2.44 7.83 -74.37 2 2 2 28 210.28 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999016734A1 IBM Patent Data

Activity (Go SEA)

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