JOH-SUS-a69c159d-6

molecule

Data

Compound ID JOH-SUS-a69c159d-6
ΔG / kcal M-1 −9.4 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1 MAT-POS-8a69d52e-7_1 molecule JOH-SUS-a69c159d-6_1 molecule −1.92 ± 0.10 work distributions convergence plot
RUN5 MAT-POS-8a69d52e-7_1 molecule JOH-SUS-a69c159d-6_2 molecule 0.7 ± 0.2 work distributions convergence plot
Last updated 2020-11-12T00:51:49.055784+00:00
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