ALP-POS-347519b5-1

molecule

Data

Compound ID ALP-POS-347519b5-1
ΔG / kcal M-1 −14.1 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN4249 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_34 molecule −9.5 ± 0.2 work distributions convergence plot
RUN4257 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_50 molecule −1.6 ± 0.3 work distributions convergence plot
RUN4236 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_13 molecule −1.4 ± 0.3 work distributions convergence plot
RUN4250 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_35 molecule −0.8 ± 0.2 work distributions convergence plot
RUN4233 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_3 molecule −0.7 ± 0.2 work distributions convergence plot
RUN4253 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_47 molecule −0.5 ± 0.2 work distributions convergence plot
RUN4261 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_61 molecule −0.5 ± 0.1 work distributions convergence plot
RUN4245 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_30 molecule −0.4 ± 0.1 work distributions convergence plot
RUN4243 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_20 molecule 0.1 ± 0.3 work distributions convergence plot
RUN4254 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_45 molecule 0.2 ± 0.2 work distributions convergence plot
RUN4256 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_46 molecule 0.3 ± 0.2 work distributions convergence plot
RUN4252 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_48 molecule 0.4 ± 0.3 work distributions convergence plot
RUN4240 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_17 molecule 0.41 ± 0.07 work distributions convergence plot
RUN4238 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_14 molecule 0.5 ± 0.2 work distributions convergence plot
RUN4259 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_52 molecule 0.5 ± 0.2 work distributions convergence plot
RUN4260 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_62 molecule 0.8 ± 0.3 work distributions convergence plot
RUN4239 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_16 molecule 0.80 ± 0.08 work distributions convergence plot
RUN4246 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_32 molecule 1.0 ± 0.3 work distributions convergence plot
RUN4231 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_1 molecule 1.0 ± 0.2 work distributions convergence plot
RUN4237 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_15 molecule 1.0 ± 0.1 work distributions convergence plot
RUN4255 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_49 molecule 1.1 ± 0.2 work distributions convergence plot
RUN4244 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_29 molecule 1.2 ± 0.2 work distributions convergence plot
RUN4263 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_64 molecule 1.4 ± 0.5 work distributions convergence plot
RUN4258 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_51 molecule 1.5 ± 0.2 work distributions convergence plot
RUN4232 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_2 molecule 1.5 ± 0.2 work distributions convergence plot
RUN4242 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_19 molecule 1.9 ± 0.2 work distributions convergence plot
RUN4247 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_33 molecule 2.3 ± 0.2 work distributions convergence plot
RUN4241 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_18 molecule 2.5 ± 0.4 work distributions convergence plot
RUN4262 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_63 molecule 2.6 ± 0.3 work distributions convergence plot
RUN4248 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_31 molecule 3.3 ± 0.3 work distributions convergence plot
RUN4251 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_36 molecule 3.4 ± 0.3 work distributions convergence plot
RUN4234 PET-UNK-29afea89-2_1 molecule ALP-POS-347519b5-1_4 molecule 4.7 ± 0.1 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
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