Status of Property Calculations
Property calculations from Abbott
- ACD Labs pKa
- Biobyte CLOGP no missing fragments
- CONCORD 3D structure and charges
- (Daylight CLOGP)
- Daylight CMR
- Nuisance & exclusion criteria for purchase
- Rule of five permeability alert
- Syracuse octanol/water logP
- Syracuse water solubility
Property calculations from Cherwell Scientific
- Daylight fingerprint
- Elemental analysis
- Equation manager
- Molecular formula
- Molecular weight
- Substructure count