| Compound ID | MIC-UNK-50cce87d-8 |
| ΔG / kcal M-1 | −13.3 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN554 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-8_2 |
|
−4.9 ± 0.3 |
|
|
||||
| RUN558 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-8_1 |
|
−1.5 ± 0.2 |
|
|
||||