| Compound ID | BEN-BAS-c2bc0d80-6 |
| ΔG / kcal M-1 | −9.13 ± 0.05 |
| pIC50 | 6.65 ± 0.04 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN507 | VLA-UCB-50c39ae8-2_1 |
|
BEN-BAS-c2bc0d80-6_1 |
|
−0.06 ± 0.03 |
|
|
|
|||
