• Drug Bank
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Records 581 to 600 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
DB00722 mol2, pdbqt 132,96 -2,428 405,493 -2,5468 8 4 0 0,99434 0,732553117903694 BBB- HIA+ Caco2-
DB00723 mol2, pdbqt 64,71 -1,554 211,26 0,2438 4 2 0 0,31602 0,609555844849073 BBB- HIA+ Caco2+
DB00724 mol2, pdbqt 56,73 -3,232 240,309 2,3108 4 1 0 -3,5924 0,270632818472538 BBB+ HIA+ Caco2+
DB00725 mol2, pdbqt 49,77 -1,938 290,382 0,2821 4 1 0 1,8747 0,524772471098313 BBB+ HIA- Caco2+
DB00726 mol2, pdbqt 6,48 -4,077 294,44 4,1092 2 0 0 4,0901 0,698568098741945 BBB+ HIA+ Caco2+
DB00727 mol2, pdbqt 165,15 -2,646 227,085 -2,3418 12 0 1 -2,5187 0,504446908112145 BBB+ HIA+ Caco2-
DB00728 mol2, pdbqt 62,24 -4,143 529,783 3,0372 6 1 1 1,5378 0,513811791721158 BBB+ HIA- Caco2-
DB00729 mol2, pdbqt 3,24 -3,097 278,418 2,2175 1 0 0 7,459 0,526746163933188 BBB+ HIA+ Caco2+
DB00730 mol2, pdbqt 69,81 -2,657 201,253 1,7705 3 1 0 0,86199 0,17019785206299 BBB+ HIA+ Caco2-
DB00731 mol2, pdbqt 66,4 -3,655 317,427 2,8719 4 2 0 -11,211 0,403137708835575 BBB+ HIA+ Caco2-
DB00732 mol2, pdbqt 132,92 -5,756 929,157 5,8206 14 0 3 -2,378 0,117487023520653 BBB+ HIA- Caco2+
DB00733 mol2, pdbqt 37,52 -1,207 137,161 1,4002 3 1 0 -0,5469 0,66254543377698 BBB+ HIA+ Caco2+
DB00734 mol2, pdbqt 61,94 -4,321 410,491 3,5368 6 0 0 5,2816 0,655978677698687 BBB+ HIA+ Caco2-
DB00735 mol2, pdbqt 3,24 -4,576 287,405 4,6562 1 0 0 3,7091 0,363286415785755 BBB+ HIA+ Caco2+
DB00736 mol2, pdbqt 96,31 -2,721 345,422 2,092 6 1 0 -1,8775 0,490475517295124 BBB- HIA+ Caco2+
DB00737 mol2, pdbqt 6,48 -4,362 390,956 5,4447 2 0 1 6,0843 0,410694669220135 BBB+ HIA+ Caco2+
DB00738 mol2, pdbqt 118,2 -2,232 340,426 1,7544 6 4 0 -7,2784 0,445867605918666 BBB+ HIA+ Caco2-
DB00739 mol2, pdbqt 115,25 -1,833 389,475 -0,2339 7 2 0 9,8897 0,874672545222539 BBB- HIA- Caco2-
DB00740 mol2, pdbqt 76,38 -3,682 234,201 3,8742 3 1 0 -0,54314 0,52603403577596 BBB+ HIA+ Caco2-
DB00741 mol2, pdbqt 94,83 -3,186 362,464 1,4168 5 3 0 3,3157 0,497223326660584 BBB+ HIA+ Caco2-
Page 
 of 344
Records 581 to 600 of 6870
These data are only available for scientific research purposes.