| Compound ID | EN300-1911992_2 |
| ΔG / kcal M-1 | −14.7 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1786 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_2_1 |
|
−2.2 ± 0.4 |
|
|
||||
| RUN452 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_2_4 |
|
−1.4 ± 0.4 |
|
|
||||
| RUN276 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_2_3 |
|
−1.4 ± 0.4 |
|
|
||||
| RUN980 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_2_2 |
|
−1.2 ± 0.4 |
|
|
||||