| Compound ID | BEN-BAS-c2bc0d80-6 |
| ΔG / kcal M-1 | −9.07 ± 0.05 |
| pIC50 | 6.61 ± 0.03 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1481 | VLA-UCB-50c39ae8-2_1 |
|
BEN-BAS-c2bc0d80-6_1 |
|
0.00 ± 0.02 |
|
|
|
|||
