Table 3.
Entry | Compound | cLog Pa | cLog Db | Log Dc |
---|---|---|---|---|
1 | 1a (OC) | 0.45 | −1.84 | −1.69 ± 0.16 (−1.50)d |
2 | 1b (OS) | 1.49 | −0.72 | (0.36)d |
3 | 2a (GOC) | −0.22 | −1.55 | −1.41 ± 0.24 |
4 | 2b (GOS) | 0.83 | 0.73 | 0.31 ± 0.05e |
5 | 3a (TP) | −1.25 | −2.42 | −1.04 ± 0.14 |
6 | 3b (TP2Et) | 2.18 | −1.39 | 0.22 ± 0.04 |
7 | 3c (TP1Et) | −0.14 | −1.52 | −0.75 ± 0.10 |
8 | 4a (TPG) | −1.92 | −2.17 | −0.98 ± 0.18 |
9 | 4b (TPG2Et) | 1.51 | −1.93 | −0.10 ± 0.04 |
10 | 4c (TPG1Et) | −0.81 | −1.27 | −0.37 ± 0.02 |
Calculated values using Advanced Chemistry Development (ACD/Labs) Software V12.01.
Calculated values using MarvinSketch (http://www.chemaxon.com/marvin/sketch/index.html)
Octanol–water partition coefficient determined at pH 7.4 from five repeated experiments.
Log D value at pH 7.4 (adapted from ref 20).
Log D value at pH 7.4 (adapted from ref 22).