Table 1.
Drug‐specific parameters of aspirin‐triggered resolvin D1 used for building the physiologically based pharmacokinetic model
| Drug‐specific parameter | Value | Reference |
|---|---|---|
| Molecular weight | 376.493 g/mol | (NCBI, 2019) |
| Formula | C22H32O5 | (NCBI, 2019) |
| Composition | C (70.19%), H (8.57%), O (21.25%) | (NCBI, 2019) |
| Topological polar surface area | 97.99 A°2 | (NCBI, 2019) |
| pKa | 4.47 | QSPRa |
| Isoelectric point | 1.44 | QSPR |
| LogP | 3.22 | QSPR |
| Solubility at pH 7.4 | 3.1 mg/ml | QSPR |
a
QSPR—quantitative structure property relationships were calculated using Chemicalize® by ChemAxon®.