MLchartDataset catalogue

Polar surface area

Term · Chemistry · MLC-T-CHM-009074

The surface area of a molecule that is composed of polar atoms, specifically oxygen, nitrogen, and attached hydrogen atoms. This descriptor is calculated from the three-dimensional structure of a molecule and is a good indicator of its ability to cross biological membranes. A high polar surface area generally correlates with poor cell membrane permeability and low oral bioavailability for drugs.

Table 1. Record
IdentifierMLC-T-CHM-009074
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 252 (https://doi.org/10.1515/pac-2012-1204)
See alsoDescriptor; Topological polar surface area
Record as JSON
{
  "id": "MLC-T-CHM-009074",
  "term": "Polar surface area",
  "field": "Chemistry",
  "definition": "The surface area of a molecule that is composed of polar atoms, specifically oxygen, nitrogen, and attached hydrogen atoms. This descriptor is calculated from the three-dimensional structure of a molecule and is a good indicator of its ability to cross biological membranes. A high polar surface area generally correlates with poor cell membrane permeability and low oral bioavailability for drugs.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "descriptor",
    "topological polar surface area"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 252 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/polar-surface-area/"
}

Record 9,635 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.