| Compound ID | EN300-1692359_2 |
| ΔG / kcal M-1 | −14.9 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN872 | MAT-POS-8a69d52e-7_1 |
|
EN300-1692359_2_2 |
|
0.5 ± 0.4 |
|
|
||||
| RUN328 | MAT-POS-8a69d52e-7_1 |
|
EN300-1692359_2_3 |
|
3.4 ± 0.5 |
|
|
||||