MAT-POS-b5746674-34

molecule

Data

Compound ID MAT-POS-b5746674-34
ΔG / kcal M-1 −12.3 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN68 PET-UNK-29afea89-2_1 molecule MAT-POS-b5746674-34_2 molecule −6.0 ± 0.2 work distributions convergence plot
RUN66 PET-UNK-29afea89-2_1 molecule MAT-POS-b5746674-34_1 molecule −0.6 ± 0.1 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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