• Drug Bank
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Records 2301 to 2320 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
DB02651 mol2, pdbqt 443,65 -9,008 685,453 1,8335 9 4 1 -18,128 4,92517822022683E-02 BBB+ HIA+ Caco2-
DB02652 mol2, pdbqt 170,64 -2,201 224,215 -0,1533 6 4 0 -9,1877 0,475773603638462 BBB+ HIA+ Caco2-
DB02653 mol2, pdbqt 419,59 -8,603 649,752 4,4251 3 1 1 -0,4895 0,165841325174167 BBB+ HIA+ Caco2+
DB02654 mol2, pdbqt 515,96 -2,178 801,554 -8,228 25 10 3 -28,472 0,149596632311729 BBB+ HIA- Caco2-
DB02655 mol2, pdbqt 96,48 -0,151 133,103 -3,813 5 3 0 -11,987 0,495010353470141 BBB- HIA- Caco2-
DB02656 mol2, pdbqt 233,82 -5,432 307,348 3,4476 4 0 0 2,0905 0,573870805189802 BBB+ HIA+ Caco2+
DB02657 mol2, pdbqt 160,3 1,755 259,15 -7,9892 9 6 1 -17,753 0,486556154649305 BBB- HIA- Caco2-
DB02658 mol2, pdbqt 228,76 -2,708 348,238 -1,8175 11 3 1 -6,8111 0,44407258041441 BBB- HIA- Caco2-
DB02659 mol2, pdbqt 97,99 -4,48 408,577 3,1794 5 4 0 0,23822 0,516247732038034 BBB+ HIA+ Caco2+
DB02660 mol2, pdbqt 231,06 -4,564 292,334 2,8634 6 1 0 -3,6059 0,225449415717853 BBB+ HIA+ Caco2-
DB02661 mol2, pdbqt 281,29 0,999 508,126 -6,7983 17 4 2 -32,717 0,368452391126733 BBB+ HIA- Caco2-
DB02662 mol2, pdbqt 176,95 -2,462 335,049 0,0091999 6 3 0 -1,9376 0,406164651284964 BBB+ HIA- Caco2-
DB02663 mol2, pdbqt 128,52 1,108 181,127 -4,1597 5 3 0 -24,949 0,395275586063974 BBB+ HIA- Caco2-
DB02664 mol2, pdbqt 94,34 -1,011 101,94 1,8571 2 2 0 -15,578 0,483179222567982 BBB+ HIA+ Caco2+
DB02665 mol2, pdbqt 91,77 -2,25 134,201 1,5205 1 1 0 -0,5087 0,653087471547223 BBB+ HIA+ Caco2+
DB02666 mol2, pdbqt 289,35 1,194 459,3 -7,696 16 8 2 -20,145 6,99009226615899E-02 BBB- HIA- Caco2-
DB02667 mol2, pdbqt 912,93 -6,16 1331,34 -2,1733 28 10 3 -27,752 0,154781293889198 BBB- HIA- Caco2-
DB02668 mol2, pdbqt 434,39 -5,797 575,728 4,6916 8 4 1 6,1826 0,332133852181381 BBB- HIA- Caco2-
DB02669 mol2, pdbqt 309,28 -3,477 412,509 2,1415 6 2 0 -2,4882 0,415051090913003 BBB- HIA+ Caco2-
DB02670 mol2, pdbqt 112,92 -0,148 164,156 -1,7687 5 4 0 -2,9403 0,518198782315547 BBB+ HIA- Caco2-
Page 
 of 344
Records 2301 to 2320 of 6870
These data are only available for scientific research purposes.