• Drug Bank
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Records 481 to 500 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
DB00618 mol2, pdbqt 181,62 -2,151 464,857 -1,1184 10 6 1 4,6962 0,775618955923729 BBB- HIA+ Caco2+
DB00619 mol2, pdbqt 86,28 -4,383 493,613 3,9383 8 2 0 8,6128 0,54592710101005 BBB+ HIA+ Caco2+
DB00620 mol2, pdbqt 115,06 -2,691 394,437 0,167 6 4 0 2,4849 0,81395472920939 BBB+ HIA+ Caco2+
DB00621 mol2, pdbqt 46,53 -3,875 306,444 2,8769 3 1 0 1,0361 0,689590210627487 BBB+ HIA+ Caco2+
DB00622 mol2, pdbqt 113,69 -3,978 479,531 1,5582 9 1 0 2,2831 0,635917228533538 BBB- HIA+ Caco2-
DB00623 mol2, pdbqt 55,25 -4,205 437,528 4,4072 4 1 0 2,3845 0,200947481845618 BBB+ HIA+ Caco2-
DB00624 mol2, pdbqt 37,3 -4,061 288,429 3,4962 2 1 0 1,56 0,412415436526202 BBB+ HIA+ Caco2+
DB00625 mol2, pdbqt 38,33 -7,173 315,677 3,6614 3 1 0 -20,73 0,140846579537832 BBB+ HIA+ Caco2+
DB00626 mol2, pdbqt 556,17 -6,14 1422,71 -7,5135 33 17 3 2,7215 0,301000252062144 BBB- HIA- Caco2-
DB00627 mol2, pdbqt 50,19 -0,834 123,111 0,1438 3 1 0 -1,5746 0,575951915090697 BBB+ HIA+ Caco2+
DB00628 mol2, pdbqt 78,76 -4,549 314,727 1,6747 5 2 0 2,0085 0,566616530369264 BBB+ HIA+ Caco2+
DB00629 mol2, pdbqt 76,76 -4,462 231,086 3,0853 4 2 0 1,5916 0,548315371120411 BBB+ HIA+ Caco2+
DB00630 mol2, pdbqt 180,93 1,459 249,095 -9,2193 8 6 1 -11,876 0,292732208064464 BBB+ HIA- Caco2-
DB00631 mol2, pdbqt 119,31 -3,412 303,68 -0,1904 8 3 0 -0,1355 0,640070099345107 BBB+ HIA+ Caco2-
DB00632 mol2, pdbqt 20,23 -5,877 326,606 9,1385 1 1 1 -32,166 9,30889034983308E-02 BBB+ HIA+ Caco2+
DB00633 mol2, pdbqt 28,68 -2,795 200,284 2,8487 2 1 0 1,4225 0,481486070207697 BBB+ HIA+ Caco2+
DB00634 mol2, pdbqt 97,64 -1,527 214,244 0,1644 5 2 0 5,4609 0,346906353974021 BBB+ HIA+ Caco2-
DB00635 mol2, pdbqt 91,67 -3,009 358,432 1,2851 5 2 0 3,8529 0,305296288982302 BBB+ HIA+ Caco2-
DB00636 mol2, pdbqt 35,53 -3,06 242,701 2,8997 3 0 0 -5,4068 9,40262028621781E-02 BBB+ HIA+ Caco2+
DB00637 mol2, pdbqt 42,32 -4,565 458,579 5,1461 5 1 1 6,3819 0,476397931446443 BBB+ HIA+ Caco2+
Page 
 of 344
Records 481 to 500 of 6870
These data are only available for scientific research purposes.