JAN-GHE-83b26c96-9

molecule

Data

Compound ID JAN-GHE-83b26c96-9
ΔG / kcal M-1 −7.0 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN29 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-9_1 molecule 0.5 ± 0.2 work distributions convergence plot
RUN30 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-9_2 molecule 6.6 ± 0.4 work distributions convergence plot
Last updated 2021-07-29T00:38:39.498831+00:00
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