2013年7月29日星期一

Calcium citrate calculation

A hydrophobic parameter calculation reference value (XlogP):
2, the hydrogen Lactic acid: 6
3, the hydrogen bond acceptors: 18
4, rotatable bonds: 4
5, tautomers Quantity:
6, topological molecular polar surface area (TPSA): 285
7, the number of heavy atoms: 33
8, the surface charge: 0
9, Calcium lactate: 211
10, isotope atomic number: 0
11, to determine the atomic stereocenter number: 0
12, uncertain atom stereocenter number: 0
13 to determine the chemical bond stereocenter number: 0
14, uncertain bond stereocenter number: 0
15, covalently bonded unit: 9

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