JAN-GHE-83b26c96-8

molecule

Data

Compound ID JAN-GHE-83b26c96-8
ΔG / kcal M-1 −6.29 ± 0.09
IC50 / µM TBD
pIC50 4.761694261068177

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN821 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-8_2 molecule 0.8 ± 0.2 work distributions convergence plot
RUN822 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-8_1 molecule 4.9 ± 0.5 work distributions convergence plot
Last updated 2021-08-10T12:29:19.302300+00:00
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