UCSF

ZINC08701067

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 17 Yes

Popular Name: 4-[5-(4-pyridyl)pentyl]pyridine 4-[5-(4-pyridyl)pentyl]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) 2.88 8.54 -7.2 0 2 0 26 226.323 6 ↓
Lo Low (pH 4.5-6) 2.88 8.82 -34.76 1 2 1 27 227.331 6 ↓
Lo Low (pH 4.5-6) 2.88 9.1 -71.64 2 2 2 28 228.339 6 ↓

Activity (Go SEA)

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