Physiochemical properties of compounds A and B
| Compound A | Compound B | |
|---|---|---|
| Molecular weight | 422 | 412 |
| m log P (Moriguchi, 1994) | 5.9 | 4.5 |
| pk a | 9 | 2 |
| H-bond donors | 1 | 3 |
| H-bond acceptors | 5 | 8 |
| Nonspecific microsomal binding | High | Low |
The m log P and H-bond acceptor and donor numbers were calculated as reported previously. Reported pKa values reflect that of the primary ionizable moieties (i.e., compound A contains a primary amine and compound B contains a carboxylic acid moiety).