Compound ID | EN300-221518_2 |
ΔG / kcal M-1 | −14.0 ± 0.1 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1921 | MAT-POS-8a69d52e-7_1 | EN300-221518_2_1 | −1.9 ± 0.2 | ||||||||
RUN1937 | MAT-POS-8a69d52e-7_1 | EN300-221518_2_1 | −1.7 ± 0.3 | ||||||||
RUN1929 | MAT-POS-8a69d52e-7_1 | EN300-221518_2_1 | −1.4 ± 0.2 |