Table 2.
Entry | X | Y | na | mb | cb | r2 b | Pb |
---|---|---|---|---|---|---|---|
1 | mlogD | clogD (Pallas) | 18 | 1.17 ± 0.23 | −0.544 ± 0.706 | 0.619 | 0.0001 |
2 | mlogD | clogD (ACD) | 18 | 1.31 ± 0.19 | −0.736 ± 0.600 | 0.740 | <0.0001 |
3 | clogD (ACD) | mlogDpr/pl (human) | 15 | 0.384 ± 0.053 | 0.352 ± 0.184 | 0.553 | <0.0001 |
4 | clogD (ACD) | mlogDpr/pl (monkey) | 17 | 0.394 ± 0.045 | −0.0365 ± 0.0498 | 0.561 | <0.0001 |
5 | clogD (Pallas) | mlogDpr/pl (human) | 15 | 0.393 ± 0.070 | 0.394 ± 0.229 | 0.426 | <0.0001 |
6 | clogD (Pallas) | mlogDpr/pl (monkey) | 17 | 0.428 ± 0.053 | −0.0283 ± 0.168 | 0.569 | <0.0001 |
7 | clogP (ACD) | mlogDpr/pl (human) | 15 | 0.351 ± 0.062 | −0.292 ± 0.241 | 0.430 | <0.0001 |
8 | clogP (ACD) | mlogDpr/pl (monkey) | 17 | 0.407 ± 0.050 | −0.268 ± 0.193 | 0.574 | <0.0001 |
9 | clogP (Pallas) | mlogDpr/pl (human) | 15 | 0.461 ± 0.089 | −0.0674 ± 0.333 | 0.385 | <0.0001 |
10 | clogP (Pallas) | mlogDpr/pl (monkey) | 17 | 0.504 ± 0.070 | −0.571 ± 0.256 | 0.519 | <0.0001 |
11 | mlogD | mlogDpr/pl (human) | 15 | 0.733 ± 0.067 | −0.651 ± 0.212 | 0.738 | <0.0001 |
12 | mlogD | mlogDpr/pl (monkey) | 17 | 0.780 ± 0.050 | −1.15 ± 0.16 | 0.832 | <0.0001 |
13 | mlogD | mlogDpr/pl (human; fluoro) | 7 | 0.635 ± 0.120 | −0.364 ± 0.416 | 0.595 | <0.0001 |
14 | mlogD | mlogDpr/pl (monkey; fluoro) | 7 | 0.784 ± 0.130 | −1.19 ± 0.45 | 0.659 | <0.0001 |
15 | mlogD | mlogDpr/pl (human; nonfluoro) | 8 | 0.824 ± 0.084 | −0.870 ± 0.246 | 0.814 | <0.0001 |
16 | mlogD | mlogDpr/pl (monkey; nonfluoro) | 10 | 0.798 ± 0.049 | −1.17 ± 0.14 | 0.906 | <0.0001 |
n = number of data points used in regression analysis, with one data point per compound; means were used for measured values.
Values computed with GraphPad Prism for Windows software.