在线计算软件

We have developed a new method, i.e. XLOGP3, for the fast calculation of logP. Its predecessor, XLOGP and XLOGP2 (ref. 1 and 2), which are atom-additive methods with well-defined correction factors, have already gained their popularity in this field for their applicability and fair accuracy. As the latest release of this series, XLOGP3 has implemented an optimized atom typing scheme and is calibrated on a much larger training set. [user manual]

Draw A Molecule:
Upload Molecules:
Supported Formats:
Optional Druglikeness Properties:	Molecular Weight
	Number of Nitrogen and Oxygen Atoms
	Number of Hydrogen Bond Donors
	Number of Hydrogen Bond Acceptors
	Number of Rotatable Bonds
	Number of Rings

Reference: Cheng, T.; Zhao, Y.; Li, X.; Lin, F.; Xu, Y.; Zhang, X.; Li, Y.; Wang, R.; Lai, L. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge", J. Chem. Inf. Model. 2007*, 47, 2140-2148.
DOWNLOAD (1264 downloads in total since 2007) For academic/governmental users, you may download and use XLOGP3 for free under a license agreement. Please follow the instructions below to register with us and download XLOGP3. Note that you may use your username to log on our discussion forum to post questions and comments on XLOGP3. For industrial/commercial users, a moderate license fee may apply. Please contact us directly at wangrx@mail.sioc.ac.cn.

Technical Support（技术支持）: yingsaisi@foxmail.com