Table 4Probe properties

ML206ML219ML220
Molecular Weight [g/mol]354.353346462.6037395.88044
Molecular FormulaC19H16F2N4OC27H30N2O3SC19H26ClN3O4
XLogP3-AA2.95.833.04
H-Bond Donor112
H-Bond Acceptor534
Rotatable Bond Count3106
Tautomer Count223
Exact Mass354.129218462.197714395.161184
MonoIsotopic Mass354.129218462.197714395.161184
Topological Polar Surface Area59.880.787.7
Heavy Atom Count263327
Formal Charge000
Complexity508620547
Isotope Atom Count000
Defined Atom StereoCenter Count100
Undefined Atom StereoCenter Count000
Defined Bond StereoCenter Count000
Undefined Bond StereoCenter Count000
Covalently-Bonded Unit Count111

From: Modulators of Lipid Storage

Cover of Probe Reports from the NIH Molecular Libraries Program
Probe Reports from the NIH Molecular Libraries Program [Internet].

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