Skip to main content
. Author manuscript; available in PMC: 2013 Dec 1.
Published in final edited form as: ChemMedChem. 2012 Oct 11;7(12):2093–2100. doi: 10.1002/cmdc.201200352

Table 2.

Physicochemical parameters of lead TUIs[a]

Compound Mol.
Wt.		 Number
of H-
bond
acceptor		 Number
of H-
bond
donor		 Number
of
rotatable
bonds		 TPSA Log P
2g 421.55 4 2 7 81.42 4.32
4a 417.50 4 1 6 39.72 5.60
23d 435.51 3 1 6 30.49 6.10
[a]

Physicochemical parameters were calculated with molecular modelling program MOE 2011.10 version.