| Compound ID | EN300-254105_2 |
| ΔG / kcal M-1 | −14.0 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1662 | MAT-POS-8a69d52e-7_1 |
|
EN300-254105_2_2 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN1526 | MAT-POS-8a69d52e-7_1 |
|
EN300-254105_2_4 |
|
4.0 ± 0.4 |
|
|
||||
| RUN1390 | MAT-POS-8a69d52e-7_1 |
|
EN300-254105_2_3 |
|
6.9 ± 0.4 |
|
|
||||