| Compound ID | EDJ-MED-e4b030d8-3 |
| ΔG / kcal M-1 | −8.69 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 4.69730858713571 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN22 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-3_1 |
|
−0.85 ± 0.09 |
|
|
||||