• Drug Bank
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 of 344
Records 3601 to 3620 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
DB04059 mol2, pdbqt 205,43 -3,336 263,303 1,879 5 3 0 -0,5575 0,215116646259713 BBB+ HIA+ Caco2-
DB04060 mol2, pdbqt 204,97 0,245 305,222 -3,4574 8 4 0 -20,784 0,476676211585111 BBB+ HIA+ Caco2-
DB04061 mol2, pdbqt 144,9 -2,02 191,229 -1,2246 3 2 0 -6,3188 0,482449688522102 BBB+ HIA+ Caco2-
DB04062 mol2, pdbqt 110,16 -0,256 164,156 -1,6941 5 4 0 0,38132 0,786241014425603 BBB+ HIA- Caco2-
DB04063 mol2, pdbqt 119,57 -1,215 145,201 -1,4834 3 2 0 -9,4869 0,39252831640878 BBB+ HIA+ Caco2-
DB04064 mol2, pdbqt 260,92 -5,002 378,335 2,4542 7 2 0 -1,783 0,134747998412457 BBB- HIA+ Caco2+
DB04065 mol2, pdbqt 137,66 -2,596 167,251 1,6357 2 0 0 -0,98413 0,594063541736253 BBB+ HIA+ Caco2+
DB04066 mol2, pdbqt 130,21 -1,703 164,16 1,1282 3 2 0 0,1675 0,445724108755819 BBB+ HIA+ Caco2+
DB04067 mol2, pdbqt 583,76 -1,014 873,661 -8,0833 24 10 3 -29,852 0,250485628911034 BBB- HIA+ Caco2-
DB04068 mol2, pdbqt 238,33 1,02 390,152 -6,7851 12 4 1 -29,828 0,446675833859171 BBB+ HIA- Caco2-
DB04069 mol2, pdbqt 153,08 -3,301 197,24 1,7269 3 1 0 -3,0049 0,468203200405993 BBB+ HIA+ Caco2+
DB04070 mol2, pdbqt 302,89 -3,466 386,527 2,5614 6 3 0 3,2179 0,770390338108875 BBB+ HIA+ Caco2-
DB04071 mol2, pdbqt 422,81 -0,547 663,428 -7,8656 21 8 3 -29,561 0,279219534522795 BBB+ HIA- Caco2-
DB04072 mol2, pdbqt 141,08 -0,089 206,149 -1,9114 7 4 0 2,0685 0,926552940856796 BBB+ HIA- Caco2-
DB04073 mol2, pdbqt 387,63 -1,136 527,573 -5,7965 14 6 3 -3,4181 0,361994655024419 BBB+ HIA- Caco2-
DB04074 mol2, pdbqt 92,37 -0,811 116,116 -0,225 3 1 0 -11,242 0,492498101606345 BBB+ HIA+ Caco2-
DB04075 mol2, pdbqt 143,19 -0,619 189,166 -1,2236 6 3 0 -14,605 0,490603515333808 BBB+ HIA- Caco2-
DB04076 mol2, pdbqt 100,06 -1,897 136,114 -0,0154 5 2 0 -0,07667 0,206667190767495 BBB+ HIA+ Caco2-
DB04079 mol2, pdbqt 124,85 -1,029 148,201 0,2789 3 3 0 -7,17 0,489997196835321 BBB- HIA+ Caco2-
DB04080 mol2, pdbqt 133,96 -1,437 180,159 0,294 4 2 0 -5,0022 0,488967492854585 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3601 to 3620 of 6870
These data are only available for scientific research purposes.