Compound ID | EN300-59487_1 |
ΔG / kcal M-1 | −9.9 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN7812 | MAT-POS-8a69d52e-7_1 | EN300-59487_1_1 | −3.3 ± 0.3 | ||||||||
RUN4770 | MAT-POS-8a69d52e-7_1 | EN300-59487_1_2 | −0.4 ± 0.2 |