| Compound ID | EN300-47606_3 |
| ΔG / kcal M-1 | −13.6 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN339 | MAT-POS-8a69d52e-7_1 |
|
EN300-47606_3_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN619 | MAT-POS-8a69d52e-7_1 |
|
EN300-47606_3_2 |
|
3.0 ± 0.5 |
|
|
||||