Summary of known probe properties

Calculated PropertyProbe Identity
CID-44820665 (MLS002729049 )
Molecular Weight [g/mol]385.44346
Molecular FormulaC17H19N7O2S
XLogP3-AA−0.2
H-Bond Donor3
H-Bond Acceptor7
Rotatable Bond Count4
Tautomer Count2
Exact Mass385.132094
MonoIsotopic Mass385.132094
Topological Polar Surface Area141
Heavy Atom Count27
Formal Charge0
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1
Complexity714

From: Inhibitors of Platelet Integrin αllbβ3

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

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