MIC-UNK-d36ab305-4

molecule

Data

Compound ID MIC-UNK-d36ab305-4
ΔG / kcal M-1 −10.7 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN158 PET-UNK-29afea89-2_1 molecule MIC-UNK-d36ab305-4_1 molecule −4.4 ± 0.2 work distributions convergence plot
RUN159 PET-UNK-29afea89-2_1 molecule MIC-UNK-d36ab305-4_2 molecule −2.8 ± 0.3 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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