Compound ID | EN300-46832_3 |
ΔG / kcal M-1 | −14.3 ± 0.4 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN275 | MAT-POS-8a69d52e-7_1 | EN300-46832_3_1 | 3.7 ± 0.4 | ||||||||
RUN475 | MAT-POS-8a69d52e-7_1 | EN300-46832_3_2 | 2.2 ± 0.7 |