| Compound ID | EN300-1704404_2 |
| ΔG / kcal M-1 | −14.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2465 | MAT-POS-b3e365b9-1_1 |
|
EN300-1704404_2_1 |
|
−5.6 ± 0.2 |
|
|
||||
| RUN7551 | MAT-POS-b3e365b9-1_1 |
|
EN300-1704404_2_2 |
|
1.9 ± 0.2 |
|
|
||||