UCSF

ZINC01587745

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 10 Yes

Popular Name: 4-Butylpyridine 4-Butylpyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5335-75-1 , [5335-75-1]

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) 2.51 1.15 -3.43 0 1 0 12 135.21 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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