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How can I estimate the LogP value of a single molecule?

April 26, 2017estimate logp molecule value

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How can I estimate the LogP value of a single molecule?

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LigBuilder also estimates the octanol/water partition coefficients of the resultant molecules. It does so by using the XLOGP algorithm: Wang, R.; Gao, Y.; Lai, L. “Calculating partition coefficient by atom-additive method”, Perspectives in Drug Design and Discovery, 2000, 19, 47-66. If you want to estimate the LogP value of a single molecule, you may download the XLOGP program from our FTP server: ftp://ftp2.ipc.pku.edu.cn/pub/software/xlogp/.