Compound ID | EN300-97746_2 |
ΔG / kcal M-1 | −13.5 ± 0.4 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1294 | MAT-POS-8a69d52e-7_1 | EN300-97746_2_2 | −2.6 ± 0.5 | ||||||||
RUN1558 | MAT-POS-8a69d52e-7_1 | EN300-97746_2_1 | −1.0 ± 0.5 |