| Compound ID | EDJ-MED-e4b030d8-2 |
| ΔG / kcal M-1 | −9.78 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | 6.63582104787113 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN36 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-2_1 |
|
−0.15 ± 0.04 |
|
|
||||