| Compound ID | JAG-UCB-a3ef7265-8 |
| ΔG / kcal M-1 | −5.0 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN96 | ADA-UCB-6c2cb422-1_1 |
|
JAG-UCB-a3ef7265-8_1 |
|
2.9 ± 0.4 |
|
|
||||