• Drug Bank
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Records 4501 to 4520 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
DB06810 mol2, pdbqt 358,2 -6,7 1085,15 0,1654 24 11 3 5,9526 0,287361452394029 BBB- HIA- Caco2-
DB06811 mol2, pdbqt 103,3 -2,466 582,812 3,762 10 1 1 -42,505 0,130317383977678 BBB+ HIA+ Caco2+
DB06813 mol2, pdbqt 207,3 -5,008 477,48 0,1612 12 5 1 -11,222 0,292300660920138 BBB+ HIA- Caco2-
DB06816 mol2, pdbqt 13,1 -7,23 382,529 5,2465 3 0 1 2,0858 0,268964444079322 BBB+ HIA+ Caco2+
DB06817 mol2, pdbqt 150,02 -1,978 444,422 -0,6888 11 3 1 6,1863 0,808926579747885 BBB- HIA+ Caco2-
DB06819 mol2, pdbqt 37,3 -2,134 164,203 2,0516 2 1 0 -6,2653 0,471165274523128 BBB+ HIA+ Caco2+
DB06820 mol2, pdbqt 43,12 -5,389 397,756 5,5189 2 0 1 5,54 0,341182383936231 BBB+ HIA+ Caco2+
DB06823 mol2, pdbqt 108,69 -1,143 163,196 -0,7035 4 2 0 -4,092 0,49778681752087 BBB+ HIA+ Caco2-
DB06824 mol2, pdbqt 76,1 0,308 146,237 -2,8052 4 4 0 -2,28 0,116875228575696 BBB+ HIA+ Caco2+
DB06825 mol2, pdbqt 487,92 -5,793 1311,47 -3,3825 31 18 3 11,945 0,327861983558695 BBB- HIA+ Caco2-
DB06826 mol2, pdbqt 94,83 -4,351 382,539 4,7789 5 3 0 -24,927 0,290437849546538 BBB+ HIA+ Caco2-
DB06827 mol2, pdbqt 390,36 -0,352 685,697 -9,0208 23 16 3 6,4515 0,545582539866718 BBB- HIA+ Caco2-
DB06828 mol2, pdbqt 183,91 -1,783 226,278 1,829 3 1 0 2,0907 0,891738131616284 BBB+ HIA+ Caco2+
DB06829 mol2, pdbqt 298,81 -6,007 454,34 3,8975 6 3 0 -7,9263 0,226665977096093 BBB+ HIA+ Caco2-
DB06830 mol2, pdbqt 184,26 0,218 276,161 -4,8048 7 5 0 -27,155 0,482732297996609 BBB+ HIA- Caco2-
DB06831 mol2, pdbqt 319,68 -5,799 450,909 3,1464 8 1 0 2,7748 0,487052697397691 BBB+ HIA+ Caco2+
DB06832 mol2, pdbqt 199,66 -5,133 271,246 3,4267 4 2 0 -4,8303 0,327667261696852 BBB+ HIA+ Caco2-
DB06833 mol2, pdbqt 275,86 -7,276 332,489 4,6121 2 1 0 -3,2184 0,21306321343159 BBB+ HIA+ Caco2-
DB06834 mol2, pdbqt 276,26 -4,442 362,432 2,5617 6 3 0 3,1632 0,707302415447688 BBB+ HIA+ Caco2-
DB06835 mol2, pdbqt 352,86 -2,544 482,536 -0,6365 8 4 0 -17,505 0,372060040195637 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4501 to 4520 of 6870
These data are only available for scientific research purposes.