Virtual logP specifications

Information


Unique identifier OMICS_16267
Name Virtual logP
Interface Web user interface
Restrictions to use None
Input data The input molecule must be a 3D structure with all hydrogens.
Computer skills Basic
Stability Stable
Maintained Yes

Maintainer


  • person_outline Bernard Testa <>

Publication for Virtual logP

Virtual logP in publication

PMCID: 3901853
PMID: 24478940
DOI: 10.1186/2193-1801-3-18

[…] ligand-protein interactions, ligplot (wallace et al., ) was used to plot the 2d schematic diagrams of the hydrophobic interaction and h-bonding. the lipophilicity of a compound was calculated using virtual logp (gaillard et al., ). the virtual logp was preferred because the 3d conformation of the compound would be taken into consideration during the calculation., compounds with highest binding […]


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Virtual logP institution(s)
Institut de Chimie Thérapeutique, EcoIe de Pharmacie, Université de Lausanne, BEP, Lausanne, Switzerland; Institut de Recherches Servier, Suresnes, France
Virtual logP funding source(s)
This work was supported by the Swiss National Science Foundation.

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