JOH-SUS-a69c159d-4

molecule

Data

Compound ID JOH-SUS-a69c159d-4
ΔG / kcal M-1 −15.8 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN169 MAT-POS-8a69d52e-7_1 molecule JOH-SUS-a69c159d-4_1 molecule 1.7 ± 0.1 work distributions convergence plot
RUN206 MAT-POS-8a69d52e-7_1 molecule JOH-SUS-a69c159d-4_2 molecule 4.2 ± 0.3 work distributions convergence plot
Last updated 2020-11-10T02:14:29.618973+00:00
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