| Energies | 1 | 2 | 19 |
| ΔEele | −22.31 | −34.39 | −44.06 |
| ΔEvdw | −22.18 | −35.41 | −35.33 |
| ΔEval | 0 | 0 | 0 |
| ΔEMM | −44.49 | −69.71 | −79.39 |
| ΔGp | 38.35 | 52.17 | 55.52 |
| ΔGnp | −3.97 | −5.61 | −4.87 |
| ΔGsol | 34.38 | 46.56 | 50.65 |
| ΔGbind | −10.11 | −23.15 | −28.74 |
| ΔGbind,exp | −6.59 | −7.33 | −5.73 |
| IC50 (μM) | 15.9 | 4.6 | 67.5 |