Compound ID | EN300-250593_1 |
ΔG / kcal M-1 | −14.2 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN379 | MAT-POS-8a69d52e-7_1 | EN300-250593_1_2 | −2.2 ± 0.4 | ||||||||
RUN867 | MAT-POS-8a69d52e-7_1 | EN300-250593_1_1 | −1.7 ± 0.5 |