| Compound ID | EN300-47606_1 |
| ΔG / kcal M-1 | −12.9 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN744 | MAT-POS-8a69d52e-7_1 |
|
EN300-47606_1_2 |
|
1.0 ± 0.4 |
|
|
||||
| RUN632 | MAT-POS-8a69d52e-7_1 |
|
EN300-47606_1_1 |
|
1.4 ± 0.7 |
|
|
||||