| Compound ID | EN300-393148_3 |
| ΔG / kcal M-1 | −9.9 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN385 | MAT-POS-b3e365b9-1_1 |
|
EN300-393148_3_1 |
|
−1.9 ± 0.4 |
|
|
||||
| RUN520 | MAT-POS-b3e365b9-1_1 |
|
EN300-393148_3_2 |
|
−0.1 ± 0.7 |
|
|
||||