| Compound ID | EN300-37195_3 |
| ΔG / kcal M-1 | −13.0 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN323 | MAT-POS-8a69d52e-7_1 |
|
EN300-37195_3_2 |
|
1.1 ± 0.4 |
|
|
||||
| RUN595 | MAT-POS-8a69d52e-7_1 |
|
EN300-37195_3_1 |
|
2.3 ± 0.4 |
|
|
||||