MAT-POS-4223bc15-13

molecule

Data

Compound ID MAT-POS-4223bc15-13
ΔG / kcal M-1 −11.0 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN4059 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_11 molecule −5.9 ± 0.2 work distributions convergence plot
RUN4054 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_6 molecule 0.13 ± 0.07 work distributions convergence plot
RUN4052 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_3 molecule 0.3 ± 0.2 work distributions convergence plot
RUN4055 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_7 molecule 0.28 ± 0.07 work distributions convergence plot
RUN4062 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_14 molecule 0.3 ± 0.2 work distributions convergence plot
RUN4058 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_12 molecule 0.8 ± 0.2 work distributions convergence plot
RUN4050 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_2 molecule 0.9 ± 0.3 work distributions convergence plot
RUN4060 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_10 molecule 1.00 ± 0.09 work distributions convergence plot
RUN4056 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_8 molecule 1.2 ± 0.3 work distributions convergence plot
RUN4051 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_4 molecule 1.3 ± 0.2 work distributions convergence plot
RUN4053 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_5 molecule 1.4 ± 0.3 work distributions convergence plot
RUN4064 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_16 molecule 1.7 ± 0.5 work distributions convergence plot
RUN4049 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_1 molecule 1.7 ± 0.5 work distributions convergence plot
RUN4063 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_15 molecule 1.8 ± 0.2 work distributions convergence plot
RUN4061 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_13 molecule 3.2 ± 0.3 work distributions convergence plot
RUN4057 PET-UNK-29afea89-2_1 molecule MAT-POS-4223bc15-13_9 molecule 3.7 ± 0.2 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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