| Compound ID | EN300-1911992_1 |
| ΔG / kcal M-1 | −14.1 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN599 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_1_2 |
|
−1.7 ± 0.4 |
|
|
||||
| RUN1980 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_1_3 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN2107 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_1_1 |
|
−1.1 ± 0.5 |
|
|
||||