Compound ID | VLA-UNK-f702bf1c-6 |
ΔG / kcal M-1 | −11.0 ± 0.2 |
pIC50 | 8.0 ± 0.1 |
ΔG / kcal M-1 | TBD |
pIC50 | TBD |
IC50 / µM | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN668 | VLA-UCB-50c39ae8-2_1 | VLA-UNK-f702bf1c-6_1 | −1.9 ± 0.2 |