| Compound ID | EDJ-MED-e4b030d8-10 |
| ΔG / kcal M-1 | −9.4 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN46 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-10_1 |
|
0.33 ± 0.10 |
|
|
||||