JOH-UNI-ea72002d-7

molecule

Data

Compound ID JOH-UNI-ea72002d-7
ΔG / kcal M-1 −12.7 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN2320 MAT-POS-b3e365b9-1_1 molecule JOH-UNI-ea72002d-7_1 molecule −4.2 ± 0.2 work distributions convergence plot
RUN2324 MAT-POS-b3e365b9-1_1 molecule JOH-UNI-ea72002d-7_2 molecule 4.0 ± 0.3 work distributions convergence plot
Last updated 2021-01-31T08:31:34.705671+00:00
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