Table 1.
Test Samples | TPSA (Å2) 1 | iLogP 2 | XlogP 3 | BBB Permeability |
MW | DPPH IC50 4 |
---|---|---|---|---|---|---|
Ramalin | 128 | 0.65 | –1.69 | × | 253.26 | 2.95 |
RA-2Cl | 104.44 | 1.24 | –1.26 | × | 271.70 | 10.11 |
RA-3Cl | 104.44 | 1.18 | –1.26 | × | 271.70 | 20.77 |
RA-4Cl | 104.44 | 0.98 | –0.63 | × | 271.70 | 7.57 |
RA-23Cl | 104.44 | 1.61 | –0.63 | × | 306.15 | 51.17 |
RA-24Cl | 104.44 | 1.44 | –0.63 | × | 306.15 | 46.01 |
RA-26Cl | 104.44 | 1.31 | –0.63 | × | 306.15 | 135.16 |
RA-34Cl | 104.44 | 1.33 | –0.63 | × | 306.15 | 32.84 |
RA-35Cl | 104.44 | 1.66 | –0.63 | × | 306.15 | 57.51 |
1 TPSA: total polar surface area. 2 iLogP: isocratic log partition coefficient. 3 XlogP: X-ray log partition coefficient. 4 BHA DPPH IC50 = 9.40 µM.