Compounds identified as active in calcium imaging (Figure 2A ).
Mw, molecular weight (Da); BBB score, indicates probability of compound
having CNS exposure where scores in the range [4-6] correctly
predicted 90.3% of CNS drugs (Gupta, Lee, Barden & Weaver, 2019);
LogS(7.4), predicted solubility (M) at pH 7.4; cLogP, predicted
lipophilicity coefficient in octanol/water; HBD, number of hydrogen-bond
donors; HBA, number of hydrogen bond acceptors; RO5, binary (Y/N)
assignment of complying with Lipinski rule-of-5 (Lipinski, 2004); NHOH,
number of polar NH and OH hydrogens; RotB, number of rotatable bonds;
TPSA, topological polar surface area (Å2); QED,
Quantitative Estimate of Druglikeness where a score of 1 indicates all
properties are favorable (Bickerton, Paolini, Besnard, Muresan &
Hopkins, 2012). Properties calculated with RDKit and ChemAxon modules.