JAN-GHE-f375bf5b-1

molecule

Data

Compound ID JAN-GHE-f375bf5b-1
ΔG / kcal M-1 −11.7 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN16 PET-UNK-29afea89-2_1 molecule JAN-GHE-f375bf5b-1_2 molecule −5.4 ± 0.2 work distributions convergence plot
RUN14 PET-UNK-29afea89-2_1 molecule JAN-GHE-f375bf5b-1_1 molecule 0.1 ± 0.2 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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