| Compound ID | EN300-1644723_1 |
| ΔG / kcal M-1 | −12.3 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3598 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_1_5 |
|
−3.3 ± 0.2 |
|
|
||||
| RUN3354 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_1_4 |
|
−2.9 ± 0.2 |
|
|
||||
| RUN2124 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_1_8 |
|
−2.7 ± 0.2 |
|
|
||||
| RUN3662 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_1_7 |
|
−2.0 ± 0.3 |
|
|
||||