• Drug Bank
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 of 344
Records 2461 to 2480 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB02828 mol2, pdbqt 102,98 -0,996 134,106 -0,2145 3 1 0 -3,1542 0,511257988271464 BBB+ HIA+ Caco2+
DB02829 mol2, pdbqt 175,05 -1,882 252,249 -2,4992 7 4 0 1,2345 0,508283743539442 BBB+ HIA+ Caco2-
DB02830 mol2, pdbqt 345,37 -2,559 446,509 1,3264 9 4 0 2,4119 0,752337083346171 BBB+ HIA+ Caco2-
DB02831 mol2, pdbqt 56,32 1,958 97,9938 -5,0393 4 3 0 -8,3432 0,179236265133173 BBB+ HIA- Caco2-
DB02832 mol2, pdbqt 583,22 -7,432 914,652 0,9477 20 8 3 -2,8306 8,54222919469886E-02 BBB+ HIA+ Caco2-
DB02833 mol2, pdbqt 240,91 -4,897 328,355 2,4099 8 2 0 -3,6211 0,356361358503222 BBB+ HIA+ Caco2+
DB02834 mol2, pdbqt 278,55 -4,257 414,334 1,9869 6 2 0 1,408 0,641365661742308 BBB- HIA+ Caco2-
DB02835 mol2, pdbqt 198,25 3,411 340,113 -9,1084 12 7 2 -18,777 0,467944581552939 BBB+ HIA- Caco2-
DB02836 mol2, pdbqt 292,28 2,161 505,165 -9,6196 18 7 3 -28,136 0,37098346291368 BBB+ HIA- Caco2-
DB02837 mol2, pdbqt 156,59 1,397 260,218 -4,2356 9 5 0 -4,7266 0,490519386751171 BBB+ HIA- Caco2-
DB02838 mol2, pdbqt 92,44 -0,823 114,124 -0,499 3 2 0 -0,2915 0,703568220013419 BBB+ HIA+ Caco2-
DB02839 mol2, pdbqt 110,06 -1,037 154,121 0,4533 4 3 0 -1,8442 0,160036295812143 BBB+ HIA+ Caco2+
DB02840 mol2, pdbqt 264,19 -4,712 368,344 2,6812 8 4 0 3,1206 0,403170305936237 BBB- HIA+ Caco2-
DB02841 mol2, pdbqt 214,15 -1,82 273,095 2,91 5 3 0 -11,759 0,161561760483791 BBB- HIA+ Caco2-
DB02842 mol2, pdbqt 255,05 -3,597 322,411 2,2082 5 2 0 4,8449 0,297223030965195 BBB+ HIA+ Caco2+
DB02843 mol2, pdbqt 158,13 1,831 260,134 -5,8646 9 6 1 -22,924 0,48642484273903 BBB+ HIA- Caco2-
DB02844 mol2, pdbqt 316,62 -4,259 423,54 -0,1092 10 5 0 -6,4475 0,358943430876787 BBB+ HIA+ Caco2-
DB02845 mol2, pdbqt 53,6 -0,376 80,0227 -1,6771 2 1 0 -9,8091 0,495685138404084 BBB+ HIA+ Caco2-
DB02846 mol2, pdbqt 93,07 -1,343 133,171 -2,7319 3 2 0 1,57 0,717389146892984 BBB+ HIA+ Caco2-
DB02847 mol2, pdbqt 95,91 -0,404 119,163 -1,1015 3 3 0 -0,99274 0,376842281155014 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2461 to 2480 of 6870
These data are only available for scientific research purposes.