| ChemSketch ACD/LogP | ChemDraw | Molinspiration MiLogP | Experimental value |
BTH | 2.01 | 2.02 | 2.37 | 2.01a |
2-SH_BTH | 2.41 | 3.42 | 2.89 | 2.41b |
2-NH2_BTH | 1.89 | 2.43 | 1.98 | 2.0c; 1.89d |
2-OH_BTH | 2.28 | 2.84 | 2.27 | 2.28; 1.76d |
2-SCH3_BTH | 3.10 | 3.67 | 3.09 | 3.10d |