DAR-DIA-9e4459de-11

molecule

Data

Compound ID DAR-DIA-9e4459de-11
ΔG / kcal M-1 −14.8 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1424 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_16 molecule −9.7 ± 0.3 work distributions convergence plot
RUN1418 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_9 molecule −7.5 ± 0.5 work distributions convergence plot
RUN1422 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_14 molecule −2.1 ± 0.2 work distributions convergence plot
RUN1421 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_13 molecule −1.8 ± 0.2 work distributions convergence plot
RUN1411 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_3 molecule −1.5 ± 0.3 work distributions convergence plot
RUN1415 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_7 molecule −0.9 ± 0.2 work distributions convergence plot
RUN1419 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_11 molecule −0.5 ± 0.1 work distributions convergence plot
RUN1417 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_10 molecule 0.3 ± 0.4 work distributions convergence plot
RUN1409 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_1 molecule 0.8 ± 0.2 work distributions convergence plot
RUN1410 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_2 molecule 0.9 ± 0.3 work distributions convergence plot
RUN1423 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_15 molecule 0.9 ± 0.3 work distributions convergence plot
RUN1416 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_8 molecule 1.4 ± 0.5 work distributions convergence plot
RUN1414 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_6 molecule 1.5 ± 0.3 work distributions convergence plot
RUN1412 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_5 molecule 2.1 ± 0.5 work distributions convergence plot
RUN1413 PET-UNK-29afea89-2_1 molecule DAR-DIA-9e4459de-11_4 molecule 8.9 ± 0.6 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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