| Compound ID | EN300-6736413_1 |
| ΔG / kcal M-1 | −14.0 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2171 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_1_2 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN1717 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_1_1 |
|
−0.0 ± 0.2 |
|
|
||||
| RUN1725 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_1_1 |
|
0.3 ± 0.2 |
|
|
||||