Are calculated log P values for some guanine derivatives by different computer programs reliable?
The log P values of n-octanol/water for some guanine derivatives, acyclovir, deoxyaciclovir and their acetyl congeners, were calculated by some commercially available computer programs for log P calculation. These values were compared with those obtained by the conventional shake-flask method. It was established that the calculations of log P values for examined guanine derivatives by these computation programs do not give reliable results.
Kristl
A
A
University of Ljubljana, Faculty of Pharmacy, Askerceva 7, 1000, Ljubljana, Slovenia.
Pecar
S
S
Kmetec
V
V
D020003:1-Octanol / Q000737:chemistry; D000107:Acetylation; D000212:Acyclovir / Q000031:analogs & derivatives / Q000737:chemistry; D000998:Antiviral Agents / Q000737:chemistry*; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D006147:Guanine / Q000031:analogs & derivatives* / Q000737:chemistry*; D007700:Kinetics; D016014:Linear Models; D012984:Software; D012995:Solubility; D014867:Water / Q000737:chemistry
D000998:Antiviral Agents; D014867:Water; D006147:Guanine; C041468:desciclovir; D020003:1-Octanol; D000212:Acyclovir