• Drug Bank
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 of 344
Records 4401 to 4420 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
DB06292 mol2, pdbqt 99,38 -3,794 408,876 2,0041 6 4 0 -4,5947 0,381453347025337 BBB+ HIA+ Caco2-
DB06335 mol2, pdbqt 90,35 -3,307 315,415 0,3497 5 2 0 -2,4644 0,470597024379113 BBB+ HIA+ Caco2-
DB06401 mol2, pdbqt 57,86 -4,791 470,611 5,6968 5 2 1 -1,4132 0,147196235974616 BBB+ HIA+ Caco2-
DB06402 mol2, pdbqt 607,9 -11,172 1755,65 -9,6297 38 23 3 -26,463 0,125260346950057 BBB- HIA- Caco2-
DB06403 mol2, pdbqt 81,54 -3,794 378,427 2,833 6 1 0 -0,7832 0,499292215046944 BBB+ HIA+ Caco2+
DB06410 mol2, pdbqt 40,46 -5,528 412,655 6,7902 2 2 1 -5,6399 0,171066593374662 BBB+ HIA+ Caco2+
DB06412 mol2, pdbqt 57,53 -4,275 332,482 3,1542 3 2 0 3,0752 0,430523729233734 BBB+ HIA+ Caco2+
DB06413 mol2, pdbqt 79,37 -3,839 273,355 0,3845 3 1 0 -0,62682 0,572561209297521 BBB+ HIA+ Caco2+
DB06414 mol2, pdbqt 120,64 -8,952 435,284 4,5016 7 2 0 -7,1291 0,174180090127141 BBB+ HIA+ Caco2+
DB06439 mol2, pdbqt 88,38 -10,926 789,19 13,688 6 3 2 -5,8826 5,17979000825219E-02 BBB+ HIA+ Caco2+
DB06441 mol2, pdbqt 335,94 -3,894 776,363 -5,2875 17 7 3 -47,755 3,91537855552759E-02 BBB- HIA- Caco2-
DB06480 mol2, pdbqt 76,82 -3,178 367,875 2,1159 6 2 0 8,0272 0,662910989865812 BBB+ HIA+ Caco2+
DB06589 mol2, pdbqt 127,41 -5,921 437,527 1,7881 9 2 0 3,5212 0,187659322787565 BBB+ HIA+ Caco2+
DB06590 mol2, pdbqt 338,35 -2,237 685,703 -1,6031 16 5 2 3,4603 0,419094220120996 BBB- HIA- Caco2-
DB06594 mol2, pdbqt 38,33 -3,51 243,305 2,6272 3 1 0 2,2746 0,486354274373212 BBB+ HIA+ Caco2+
DB06595 mol2, pdbqt 77,73 -7,859 570,647 6,2066 8 1 2 5,4432 0,210294044396854 BBB+ HIA+ Caco2-
DB06603 mol2, pdbqt 80,64 -4,578 349,433 3,7372 5 4 0 1,591 0,607125005993726 BBB+ HIA+ Caco2-
DB06605 mol2, pdbqt 110,76 -4,317 459,505 1,6048 9 1 0 3,2654 0,234220818974348 BBB+ HIA+ Caco2-
DB06614 mol2, pdbqt 152,02 -1,773 328,411 0,0366 8 6 1 1,8126 0,85751243850162 BBB+ HIA+ Caco2-
DB06616 mol2, pdbqt 82,88 -5,461 530,454 4,5762 8 1 1 4,1635 8,40315439282203E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4401 to 4420 of 6870
These data are only available for scientific research purposes.