| Compound ID | EN300-221518_4 |
| ΔG / kcal M-1 | −12.8 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN701 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_4_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN709 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_4_1 |
|
−0.2 ± 0.4 |
|
|
||||
| RUN693 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_4_1 |
|
0.3 ± 0.3 |
|
|
||||