| Compound ID | BEN-DND-c852c98b-3 |
| ΔG / kcal M-1 | −7.53 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN45 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-3_1 |
|
0.90 ± 0.08 |
|
|
||||