JAN-GHE-f4ca5a00-19

molecule

Data

Compound ID JAN-GHE-f4ca5a00-19
ΔG / kcal M-1 −9.1 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN201 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-19_2 molecule −1.8 ± 0.2 work distributions convergence plot
RUN205 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-19_1 molecule −0.1 ± 0.2 work distributions convergence plot
Last updated 2021-06-28T03:02:32.303599+00:00
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