Compound ID | EN300-79588_3 |
ΔG / kcal M-1 | −14.1 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1504 | MAT-POS-8a69d52e-7_1 | EN300-79588_3_1 | −2.1 ± 0.3 | ||||||||
RUN1496 | MAT-POS-8a69d52e-7_1 | EN300-79588_3_1 | −1.9 ± 0.4 |