Table 3.
Physicochemical parameters of the ligands.
Ligand | Mol wt. | No. of HBA | No. of HBD | MolLogP | MolPSA |
---|---|---|---|---|---|
Kurchessine | 372.35 | 2 | 0 | 6.10 | 5.76 Å2 |
Conessine | 356.32 | 2 | 0 | 5.16 | 6.03 Å2 |
Isoconessimine | 342.30 | 2 | 1 | 4.61 | 15.09 Å2 |
Pubescine | 382.19 | 5 | 1 | 2.28 | 50.49 Å2 |
Holadienine | 325.24 | 2 | 0 | 4.25 | 16.93 Å2 |
Holanamine | 325.20 | 3 | 1 | 3.37 | 39.05 Å2 |
Conessimine | 342.30 | 2 | 1 | 4.67 | 14.99 Å2 |
Holadysenterine | 390.29 | 4 | 4 | 2.59 | 74.72 Å2 |
Kurchine | 342.30 | 2 | 1 | 4.61 | 15.09 Å2 |
Loperamide | 476.22 | 3 | 1 | 5.39 | 34.51 Å2 |