| Compound ID | BEN-DND-c852c98b-1 |
| ΔG / kcal M-1 | −10.23 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN25 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-1_1 |
|
−0.47 ± 0.04 |
|
|
||||