Compound ID | JOH-UNI-ea72002d-7 |
ΔG / kcal M-1 | −12.7 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN2320 | MAT-POS-b3e365b9-1_1 | JOH-UNI-ea72002d-7_1 | −4.2 ± 0.2 | ||||||||
RUN2324 | MAT-POS-b3e365b9-1_1 | JOH-UNI-ea72002d-7_2 | 4.0 ± 0.3 |