| Compound ID | EDJ-MED-cf4b0d25-3 |
| ΔG / kcal M-1 | −7.84 ± 0.06 |
| IC50 / µM | TBD |
| pIC50 | 5.640621175327814 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1426 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-cf4b0d25-3_1 |
|
−1.8 ± 0.2 |
|
|
||||
| RUN1424 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-cf4b0d25-3_2 |
|
−1.6 ± 0.2 |
|
|
||||