| Compound ID | EDJ-MED-e4b030d8-11 |
| ΔG / kcal M-1 | −10.25 ± 0.06 |
| IC50 / µM | TBD |
| pIC50 | 6.77306481685843 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN12 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-11_1 |
|
−0.81 ± 0.06 |
|
|
||||