JAN-GHE-f4ca5a00-19

molecule

Data

Compound ID JAN-GHE-f4ca5a00-19
ΔG / kcal M-1 −8.8 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN999 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-19_2 molecule 1.0 ± 0.3 work distributions convergence plot
RUN1002 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-19_1 molecule 1.4 ± 0.4 work distributions convergence plot
Last updated 2021-08-11T06:25:51.091929+00:00
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