Compound ID | EN300-219496_1 |
ΔG / kcal M-1 | −9.8 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN4586 | MAT-POS-8a69d52e-7_1 | EN300-219496_1_1 | −3.4 ± 0.4 | ||||||||
RUN6936 | MAT-POS-8a69d52e-7_1 | EN300-219496_1_4 | −3.3 ± 0.4 | ||||||||
RUN9541 | MAT-POS-8a69d52e-7_1 | EN300-219496_1_2 | −1.7 ± 0.5 | ||||||||
RUN7732 | MAT-POS-8a69d52e-7_1 | EN300-219496_1_3 | 1.0 ± 0.7 |