| Compound ID | EN300-6764836_1 |
| ΔG / kcal M-1 | −12.7 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN6216 | MAT-POS-b3e365b9-1_1 |
|
EN300-6764836_1_5 |
|
−4.0 ± 0.3 |
|
|
||||
| RUN5177 | MAT-POS-b3e365b9-1_1 |
|
EN300-6764836_1_3 |
|
−2.5 ± 0.3 |
|
|
||||
| RUN4685 | MAT-POS-b3e365b9-1_1 |
|
EN300-6764836_1_1 |
|
−1.4 ± 0.4 |
|
|
||||
| RUN5992 | MAT-POS-b3e365b9-1_1 |
|
EN300-6764836_1_7 |
|
−1.2 ± 0.3 |
|
|
||||