MLchartDataset catalogue

Hydrophobic fragmental constant

Term · Chemistry · MLC-T-CHM-005487

A numerical value representing the contribution of a specific molecular fragment to the overall hydrophobicity of a compound. This constant is derived empirically from partition coefficients of molecules containing the fragment. It is used in quantitative structure-activity relationship (QSAR) studies to predict the lipophilicity of new chemical entities.

Table 1. Record
IdentifierMLC-T-CHM-005487
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1737 (https://doi.org/10.1351/PAC-REC-12-11-23)
Record as JSON
{
  "id": "MLC-T-CHM-005487",
  "term": "Hydrophobic fragmental constant",
  "field": "Chemistry",
  "definition": "A numerical value representing the contribution of a specific molecular fragment to the overall hydrophobicity of a compound. This constant is derived empirically from partition coefficients of molecules containing the fragment. It is used in quantitative structure-activity relationship (QSAR) studies to predict the lipophilicity of new chemical entities.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1737 (https://doi.org/10.1351/PAC-REC-12-11-23)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/hydrophobic-fragmental-constant/"
}

Record 5,812 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.