ALP-POS-3b848b35-1

molecule

Data

Compound ID ALP-POS-3b848b35-1
ΔG / kcal M-1 −12.1 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN57 PET-UNK-29afea89-2_1 molecule ALP-POS-3b848b35-1_1 molecule −5.4 ± 0.3 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by fah-xchem version 0.1.0+79.gd44a60c.dirty