MAT-POS-f7918075-1

molecule

Data

Compound ID MAT-POS-f7918075-1
ΔG / kcal M-1 −7.8 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN84 MAT-POS-8a69d52e-7_1 molecule MAT-POS-f7918075-1_1 molecule −0.48 ± 0.09 work distributions convergence plot
RUN86 MAT-POS-8a69d52e-7_1 molecule MAT-POS-f7918075-1_1 molecule −0.39 ± 0.09 work distributions convergence plot
RUN85 MAT-POS-8a69d52e-7_1 molecule MAT-POS-f7918075-1_1 molecule −0.32 ± 0.09 work distributions convergence plot
RUN121 MAT-POS-8a69d52e-7_1 molecule MAT-POS-f7918075-1_2 molecule 2.2 ± 0.2 work distributions convergence plot
RUN120 MAT-POS-8a69d52e-7_1 molecule MAT-POS-f7918075-1_2 molecule 2.5 ± 0.2 work distributions convergence plot
RUN119 MAT-POS-8a69d52e-7_1 molecule MAT-POS-f7918075-1_2 molecule 2.5 ± 0.2 work distributions convergence plot
Last updated 2020-11-12T00:51:49.055784+00:00
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