Hansch equation
Term · Chemistry · MLC-T-CHM-005092
A quantitative structure-activity relationship equation that relates the logarithm of the reciprocal of the molar concentration giving a standard biological effect, log(1/C), to the hydrophobicity and electronic character of a compound. In its parabolic form, log(1/C) = a log P minus b (log P)^2 plus rho sigma plus k, where sigma is the Hammett constant. The squared term gives an optimum at log P equal to a divided by 2b, and a steric term such as Taft's Es is added when needed.
| Identifier | MLC-T-CHM-005092 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| References | PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 247 (https://doi.org/10.1515/pac-2012-1204) |
| See also | Bilinear equation; Log P |
Record as JSON
{
"id": "MLC-T-CHM-005092",
"term": "Hansch equation",
"field": "Chemistry",
"definition": "A quantitative structure-activity relationship equation that relates the logarithm of the reciprocal of the molar concentration giving a standard biological effect, log(1/C), to the hydrophobicity and electronic character of a compound. In its parabolic form, log(1/C) = a log P minus b (log P)^2 plus rho sigma plus k, where sigma is the Hammett constant. The squared term gives an optimum at log P equal to a divided by 2b, and a steric term such as Taft's Es is added when needed.",
"subject": "Chemistry and Human Health",
"see_also": [
"bilinear equation",
"log P"
],
"references": [
"PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 247 (https://doi.org/10.1515/pac-2012-1204)"
],
"url": "https://mlchart.com/terminology/chemistry/hansch-equation/"
}
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