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 |
|
M3G, morphine-3-glucuronide; M6G, morphine-6-glucuronide.