Research Article
Structure-Guided Approach to Identify Potential Inhibitors of Large Envelope Protein to Prevent Hepatitis B Virus Infection
Table 2
Molecular properties of selected ligands.
| | Compound ID | (≤5) | Molecular weight | H-bond acceptors (≤10) | H-bond donors (≤5) | Apolar desolvation (kcal/Mol) | Polar desolvation (kcal/Mol) | Rotatable bonds (≤10) |
| | ZINC11882026 | 3.78 | 514.69 | 6 | 1 | -1.52 | -49.29 | 9 | | ZINC00653293 | 1.91 | 515.614 | 9 | 0 | -5.09 | -14.77 | 6 | | ZINC19741044 | 4.02 | 532.734 | 7 | 1 | 13.34 | -52.43 | 6 | | ZINC15000762 | 1.70 | 536.697 | 9 | 2 | 7.87 | -57.67 | 10 |
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