TABLE 1

Physicochemical description of drugs included in the study

Values of log D7.4 (ACDLogD7.4) and pKa (ACDpKa) were calculated using ACD/Labs databases version 9.03 (Advanced Chemistry Development Inc., Toronto, ON, Canada). Experimentally determined log D7.4 and pKa values were obtained from the literature.


Compound

Classification

ACDLogD7.4

Log D7.4

ACDpKa

pKa
Alovudine Neutral −0.52 9.21
Apomorphine Base 2.51 7.88
Cetirizine Zwitterion −1.25 1.5a 6.22 2.93, 8.00a
Codeine Base 0.30 0.22b 8.23 8.22b
CP-122721 Base 1.88 9.85
Diazepam Neutral 2.96 3.4
Gabapentin Zwitterion −1.31 4.72, 10.27
Morphine Base −0.36 −0.07b 8.25 8.21b
M3G Zwitterion −4.81 −1.12b 2.79, 9.75 8.18b
M6G Zwitterion −4.39 −0.79b 2.79, 9.73 8.22b
Norfloxacin Zwitterion −0.98 0.18, 8.34
Oxycodone Base 1.27 7.57
Thiopental
Neutral
2.99

7.95