Compound | Mol. Wt. | pKa | clogD | PSA Å2 | fu, plasma | fu, brain |
---|---|---|---|---|---|---|
NS2359 | 300.2 | 11 | 3.1 | 22 | 0.20 | 0.0086 |
Cocaine | 303.0 | 9.0 | 2.6 | 45 | 0.41 | 0.12 |
Bupropion | 239.7 | 7.2 | 3.4 | 25 | 0.11 | 0.16 |
Duloxetine | 297.4 | 10 | 4.3 | 21 | 0.040 | 0.0045 |
Citalopram | 256.4 | 5.9 | 3.6 | 37 | 0.27 | 0.061 |
Compound 1 | 300.2 | 10 | 4.2 | 26 | 0.048 | 0.0016 |
Compound 2 | 314.3 | 10 | 4.7 | 26 | 0.023 | 0.00056 |
Compound 3 | 300.2 | 9.6 | 4.8 | 27 | 0.018 | 0.00066 |
Compound 4 | 328.3 | 9.5 | 5.6 | 28 | 0.010 | 0.00061 |
Compound 5 | 304.1 | 9.5 | 4.4 | 28 | 0.024 | 0.0016 |
Compound 6 | 318.2 | 9.5 | 5.0 | 27 | 0.017 | 0.0012 |
Compound 7 | 360.3 | 9.9 | 5.7 | 26 | 0.024 | 0.0075 |
Compound 8 | 292.2 | 9.8 | 4.0 | 28 | 0.014 | 0.0090 |
Compound 9 | 250.3 | 9.7 | 3.5 | 25 | 0.23 | 0.061 |
Compound 10 | 274.3 | 9.8 | 3.4 | 40 | 0.12 | 0.071 |
Compound 11 | 316.4 | 9.7 | 4.7 | 40 | 0.013 | 0.010 |
Compound 12 | 271.4 | 9.0 | 3.5 | 51 | 0.34 | 0.14 |
Compound 13 | 287.4 | 8.2 | 2.2 | 62 | 0.66 | 0.56 |
PSA, polar surface area.