| Compound ID | EN300-246440_3 |
| ΔG / kcal M-1 | −11.2 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN455 | MAT-POS-b3e365b9-1_1 |
|
EN300-246440_3_1 |
|
−2.9 ± 0.5 |
|
|
||||