• Drug Bank
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Records 541 to 560 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
DB00680 mol2, pdbqt 96,41 -5,071 427,524 3,9335 7 1 0 -6,7916 0,165430447375018 BBB+ HIA+ Caco2-
DB00681 mol2, pdbqt 319,61 -5,077 924,087 0,323 18 12 3 -0,1375 0,271693275743414 BBB- HIA- Caco2-
DB00682 mol2, pdbqt 63,6 -3,722 308,332 3,2806 4 1 0 -0,76661 0,18632242205136 BBB+ HIA+ Caco2+
DB00683 mol2, pdbqt 30,18 -6,815 325,773 3,2751 3 0 0 2,7386 0,4828111726325 BBB+ HIA+ Caco2+
DB00684 mol2, pdbqt 268,17 -0,334 467,518 -7,0196 14 10 2 3,1126 0,777476094997078 BBB- HIA- Caco2-
DB00685 mol2, pdbqt 99,76 -6,027 416,358 -0,5509 7 2 0 1,1513 0,48044783838857 BBB+ HIA+ Caco2+
DB00686 mol2, pdbqt 356,07 4,877 602,496 -9,7131 21 6 3 0,40189 0,490200152297935 BBB+ HIA- Caco2-
DB00687 mol2, pdbqt 94,83 -3,318 380,454 1,2945 5 3 0 1,9757 0,463698228561567 BBB+ HIA+ Caco2+
DB00688 mol2, pdbqt 94,53 -2,632 433,499 2,3937 8 1 0 -0,19574 0,566563635672975 BBB+ HIA+ Caco2+
DB00689 mol2, pdbqt 164,33 -1,586 405,43 -2,4701 9 3 0 10,041 0,864107823504234 BBB- HIA- Caco2-
DB00690 mol2, pdbqt 35,91 -5,009 387,885 3,5978 4 0 0 6,3784 0,130613707288452 BBB+ HIA+ Caco2+
DB00691 mol2, pdbqt 114,4 -3,499 498,574 0,5584 9 2 0 -1,1596 0,420931177858151 BBB- HIA- Caco2-
DB00692 mol2, pdbqt 47,86 -3,689 281,358 1,2543 4 2 0 4,7965 0,850156062787589 BBB+ HIA+ Caco2-
DB00693 mol2, pdbqt 75,99 -4,271 332,31 3,7285 5 2 0 -1,2682 9,24162340165187E-02 BBB+ HIA+ Caco2-
DB00694 mol2, pdbqt 185,84 -5,014 527,524 1,094 11 5 2 6,1633 0,188923953270583 BBB- HIA- Caco2-
DB00695 mol2, pdbqt 131,01 -3,329 330,747 0,7685 7 3 0 3,1537 0,843608864810107 BBB- HIA+ Caco2-
DB00696 mol2, pdbqt 118,21 -3,347 581,671 2,5846 10 3 1 9,9548 0,336773429816626 BBB- HIA+ Caco2-
DB00697 mol2, pdbqt 90,44 0,293 253,717 2,1419 5 2 0 4,6928 0,942129699934473 BBB+ HIA+ Caco2+
DB00698 mol2, pdbqt 120,73 -3,02 238,159 -0,5862 9 1 0 4,7506 0,197476024549646 BBB+ HIA+ Caco2-
DB00699 mol2, pdbqt 56,59 -3,509 484,392 3,3973 6 0 0 2,5093 0,371541334220584 BBB+ HIA+ Caco2+
Page 
 of 344
Records 541 to 560 of 6870
These data are only available for scientific research purposes.