Table 2 The physiochemical properties of the best ten and two standard ligands
No | ZINC ID | Physicochemical Properties | ||||
|---|---|---|---|---|---|---|
MW | LogP (o/w) | H-Acc | H-Bond | TPSA | ||
1 | ZINC14262121 | 542.66 | 3.67 | 8 | 4 | 141.36 |
2 | ZINC56874155 | 587.70 | 3.41 | 9 | 4 | 153.83 |
3 | ZINC85596639 | 533.61 | 2.23 | 10 | 5 | 146.94 |
4 | ZINC504747685 | 527.52 | 2.88 | 9 | 2 | 133.00 |
5 | ZINC85628951 | 573.70 | 1.95 | 8 | 5 | 140.41 |
6 | ZINC85570811 | 568.53 | 4.04 | 10 | 4 | 155.89 |
7 | ZINC5431307 | 554.58 | 2.90 | 10 | 5 | 155.14 |
8 | ZINC24986227 | 489.01 | 4.71 | 4 | 2 | 64.62 |
9 | ZINC85569343 | 586.63 | 4.03 | 9 | 6 | 160.82 |
10 | ZINC85837484 | 540.47 | 3.25 | 10 | 6 | 177.89 |
S1 | Licochalcone A | 338.40 | 3.98 | 4 | 2 | 66.76 |
S2 | 18β-Glycyrrhetinic Acid | 470.68 | 5.15 | 4 | 2 | 74.60 |