Compound ID | EDJ-MED-e4b030d8-13 |
ΔG / kcal M-1 | −9.77 ± 0.07 |
IC50 / µM | TBD |
pIC50 | 6.54725354142573 |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN8 | MAT-POS-b3e365b9-1_1 | EDJ-MED-e4b030d8-13_1 | −0.68 ± 0.09 |