Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 337 | |
|---|---|---|
| Name: | methyl 4-hydroxybenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methyl 4-hydroxybenzoate | |
| Labels: | ||
| CAS: | 99-76-3 | |
| InChi Code: | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.44 |
experimental value |
| -4.1584 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022529 | US EPA CompTox Dashboard |