• Drug Bank
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Records 301 to 320 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
DB00426 mol2, pdbqt 122,22 -2,189 321,336 0,3028 9 1 0 2,5133 0,529305009812042 BBB+ HIA+ Caco2-
DB00427 mol2, pdbqt 16,13 -3,111 278,398 2,7804 2 0 0 3,0858 0,840693704836499 BBB+ HIA+ Caco2-
DB00428 mol2, pdbqt 151,92 0,165 265,221 -2,6169 10 5 0 -1,7372 9,62327069289224E-02 BBB- HIA- Caco2-
DB00429 mol2, pdbqt 97,99 -3,641 368,512 4,0297 5 4 0 -12,979 0,354090508073023 BBB+ HIA+ Caco2+
DB00430 mol2, pdbqt 263,36 -2,844 612,647 -0,2232 15 5 2 11,136 0,569978563054131 BBB- HIA- Caco2-
DB00431 mol2, pdbqt 0 -4,112 290,832 3,762 0 0 0 -0,92105 0,192004653252026 BBB+ HIA+ Caco2+
DB00432 mol2, pdbqt 99,1 -1,854 296,2 -0,7666 7 3 0 -3,4372 0,290429453267704 BBB+ HIA+ Caco2-
DB00433 mol2, pdbqt 35,02 -4,37 373,951 4,6853 3 0 0 10,249 0,355833568273002 BBB+ HIA+ Caco2+
DB00434 mol2, pdbqt 3,24 -4,412 287,405 4,5999 1 0 0 6,4602 0,227658718772792 BBB+ HIA+ Caco2+
DB00435 mol2, pdbqt 40,92 -0,338 31,0139 -0,5015 2 1 0 -1,9719 0,333800037785009 BBB+ HIA+ Caco2+
DB00436 mol2, pdbqt 135,12 -3,508 421,419 1,6564 7 3 0 -2,7632 0,243942802329664 BBB- HIA+ Caco2-
DB00437 mol2, pdbqt 65,85 -1,543 136,114 -3,0509 5 2 0 2,9002 0,952883551482357 BBB+ HIA+ Caco2-
DB00438 mol2, pdbqt 242,98 -2,315 547,592 -0,1251 13 4 2 13,274 0,656814182104539 BBB- HIA+ Caco2-
DB00440 mol2, pdbqt 105,51 -3,325 290,322 1,0686 7 2 0 -1,7142 0,506098784648103 BBB+ HIA+ Caco2+
DB00441 mol2, pdbqt 108,38 -1,578 263,199 -2,0433 7 3 0 -7,4382 0,287164466961618 BBB+ HIA+ Caco2-
DB00442 mol2, pdbqt 125,76 -1,533 277,283 -1,0456 8 4 0 1,6555 0,875596638667481 BBB+ HIA+ Caco2-
DB00443 mol2, pdbqt 94,83 -3,25 392,465 1,2884 5 3 0 3,1791 0,799910879011037 BBB+ HIA+ Caco2+
DB00444 mol2, pdbqt 189,07 -4,852 656,659 1,3462 13 3 2 -0,10951 0,316335911233779 BBB- HIA+ Caco2-
DB00445 mol2, pdbqt 206,07 -4,507 543,523 0,1673 12 6 3 6,6484 0,332107826799606 BBB- HIA- Caco2-
DB00446 mol2, pdbqt 115,38 -2,367 323,131 -0,4248 7 3 0 -2,4605 6,38026640583151E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 301 to 320 of 6870
These data are only available for scientific research purposes.