Compound ID | VLA-UCB-50c39ae8-9 |
ΔG / kcal M-1 | −11.1 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN8 | MAT-POS-8a69d52e-7_1 | VLA-UCB-50c39ae8-9_2 | −4.7 ± 0.3 | ||||||||
RUN142 | MAT-POS-8a69d52e-7_1 | VLA-UCB-50c39ae8-9_1 | −2.4 ± 0.4 |