JOH-SUS-a69c159d-6

molecule

Data

Compound ID JOH-SUS-a69c159d-6
ΔG / kcal M-1 −11.17 ± 0.09
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN70 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-6_1 molecule −2.14 ± 0.09 work distributions convergence plot
RUN208 MAT-POS-b3e365b9-1_1 molecule JOH-SUS-a69c159d-6_2 molecule 1.0 ± 0.2 work distributions convergence plot
Last updated 2020-12-15T19:44:24.206962+00:00
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