BioLiP

PDB

BioLiP

PDB CCD ID:

0CZ

Number of entries in BioLiP:

Chemical formula:

C15 H10 F6 O2

InChI:

InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H

InChIKey:

ZFVMWEVVKGLCIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F
ACDLabs 12.01	FC(F)(F)C(c1ccc(O)cc1)(c2ccc(O)cc2)C(F)(F)F
OpenEye OEToolkits 1.7.6	c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O

Name:

4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol;
BISPHENOL AF

ChEMBL:

CHEMBL1900054

ZINC:

ZINC000000043843

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).