| Compound ID | EN300-208959_2 |
| ΔG / kcal M-1 | −10.1 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3759 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_2_2 |
|
−4.0 ± 0.2 |
|
|
||||
| RUN3519 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_2_4 |
|
−2.2 ± 0.3 |
|
|
||||
| RUN8285 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_2_3 |
|
8.2 ± 0.2 |
|
|
||||
| RUN8678 | MAT-POS-8a69d52e-7_1 |
|
EN300-208959_2_1 |
|
8.6 ± 0.3 |
|
|
||||