Log P DB
Predict LogP for unknown structures. Search database by (sub)structure. Checks alternate ionic and/or tautomeric forms of structures. View calculation protocol.
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English
Supported Technologies
Windows 95/98/ME,
Windows XP/2000/NT
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Pricing
- Unspecified -
info@acdlabs.com
800 304 3988
Additional Product Information
At the pH for which the neutral form of the molecule exists, ACD/LogP DB gives a quantitative structure-based estimation of the LogP partition coefficient and its 95% confidence interval; the aqueous solubility (S), the bioconcentration factor (BCF); and the adsorption coefficient (Koc) for molecules containing H, B, C, N, O, F, Cl, Br, I, Si, P, S, Ge, As, Se, Sn, or Pb. It contains a searchable data base with more than 3,600 chemical structures with references to more than 5,000 experimental logP values. In most cases, ACD/LogP calculates logP values with an accuracy ±0.3 or better. It automatically checks the alternate ionic and/or tautomeric forms of the drawn structure. It warns you that you may encounter difficulties in measuring the accurate logP value experimentally. It provides a detailed explanation window which describes how the logP value was calculated. It saves and loads all the drawn structures along with their logP values to and from a file on the disk. It exports and imports SDF files. If an SDF file contains chemical structures without logP values, the program can calculate them automatically during the process of importing structures. Other versions available: restricted ?economy? mode; and batch.