MAT-POS-b5746674-98

molecule

Data

Compound ID MAT-POS-b5746674-98
ΔG / kcal M-1 −10.6 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN75 PET-UNK-29afea89-2_1 molecule MAT-POS-b5746674-98_2 molecule −4.3 ± 0.2 work distributions convergence plot
RUN73 PET-UNK-29afea89-2_1 molecule MAT-POS-b5746674-98_1 molecule −1.2 ± 0.2 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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