UCSF

ZINC02144855

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 20 Yes

Popular Name: 4-[4-(hexyloxy)phenyl]-4-oxobutanoic acid 4-[4-(hexyloxy)phenyl]-4-oxobuta…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64779-14-2 , [64779-14-2]

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) 3.75 1.67 -46.67 0 4 -1 66 277.34 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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