| Compound ID | EDJ-MED-e4b030d8-8 |
| ΔG / kcal M-1 | −8.78 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 5.43547484482999 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN44 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-8_1 |
|
0.03 ± 0.08 |
|
|
||||