UNII-FDA database for molecular docking

PUBCHEM ID	UNII	Download	Total Surface Area	Relative PSA	TPSA	cLogS	MW	cLogP	H-Acceptors	Ro5 violations	Druglikeness	DrugScore
86208533	A914160VRH	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	2,90508772625868E-02
86208534	5VS335UEHS	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	2,90508772625868E-02
86208535	S5X2BU2QJC	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	2,90508772625868E-02
86208536	429B9SE33B	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	6,05226609637225E-02
86208537	86V0CL7L20	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	2,90508772625868E-02
86208538	39BG07UGN7	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	3,87345030167824E-02
86208540	34PKV25J89	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	6,05226609637225E-02
86208541	5B9AHP631F	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	2,90508772625868E-02
86208542	061OX73CP3	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	3,87345030167824E-02
86208543	6U8OM59KJZ	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	3,87345030167824E-02
86208544	D7HPO03O16	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	3,87345030167824E-02
86208545	85829KH030	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	3,87345030167824E-02
86208547	5F5O4058E8	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	2,90508772625868E-02
86208549	6D610905QU	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	2,90508772625868E-02
86208550	7ZKI8D66SX	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	3,87345030167824E-02
86208551	KD19I1V03O	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	6,05226609637225E-02
86208552	41I0DF60QB	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	8,06968812849634E-02
86208553	A0P6X82U7D	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	3,63135965782335E-02
86208554	3I2QO8WHXJ	mol2, pdbqt	236,17	0,042342	9,23	-8,083	564,691	6,6812	1	2	-4,105	8,06968812849634E-02
86221338	QZ933274R8	mol2, pdbqt	359,88	0	0	-13,204	493,832	10,316	0	1	-10,477	2,06061139568209E-02

These data are only available for scientific research purposes.