| Compound ID | EN300-1659582_1 |
| ΔG / kcal M-1 | −10.4 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN453 | MAT-POS-b3e365b9-1_1 |
|
EN300-1659582_1_1 |
|
−2.9 ± 0.2 |
|
|
||||
| RUN461 | MAT-POS-b3e365b9-1_1 |
|
EN300-1659582_1_1 |
|
−2.7 ± 0.3 |
|
|
||||
| RUN469 | MAT-POS-b3e365b9-1_1 |
|
EN300-1659582_1_1 |
|
−2.0 ± 0.2 |
|
|
||||