• Drug Bank
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Records 501 to 520 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
DB00638 mol2, pdbqt 3038,9 16,198 6179,35 -76,229 191 116 3 -6,7861 0,150169213572344 BBB+ HIA- Caco2-
DB00639 mol2, pdbqt 43,12 -5,62 411,783 5,9859 2 0 1 4,7953 0,223401709221329 BBB+ HIA+ Caco2+
DB00640 mol2, pdbqt 139,54 -2,325 267,244 -1,7396 9 4 0 -0,90819 0,604608564119652 BBB+ HIA+ Caco2-
DB00641 mol2, pdbqt 72,83 -4,75 418,572 4,4608 5 1 0 0,66833 0,456889036001465 BBB+ HIA+ Caco2-
DB00642 mol2, pdbqt 187,96 -3,107 427,416 0,4377 11 7 2 -7,7079 0,396461414130592 BBB+ HIA- Caco2-
DB00643 mol2, pdbqt 84,08 -4,855 295,297 2,6656 6 2 0 -2,7375 0,224418301956922 BBB+ HIA+ Caco2+
DB00644 mol2, pdbqt 474,63 -4,715 1182,31 -5,0492 30 16 3 11,381 0,392791321269973 BBB- HIA+ Caco2-
DB00645 mol2, pdbqt 29,54 -3,507 289,417 3,6568 3 0 0 -3,3183 0,24346440678907 BBB+ HIA+ Caco2+
DB00646 mol2, pdbqt 327,45 -5,192 926,103 0,4024 18 12 3 -4,305 0,184113516923338 BBB- HIA- Caco2-
DB00647 mol2, pdbqt 29,54 -3,353 339,477 4,2826 3 0 0 5,3569 0,717951106960563 BBB+ HIA+ Caco2+
DB00648 mol2, pdbqt 0 -5,438 320,045 5,7902 0 0 1 -1,3066 3,40418156690607E-02 BBB+ HIA+ Caco2+
DB00649 mol2, pdbqt 78,87 -1,285 224,215 -0,6742 6 2 0 2,0411 0,913338278978628 BBB+ HIA+ Caco2-
DB00650 mol2, pdbqt 215,55 -4,076 473,445 -2,2121 14 7 2 -6,7653 0,338931760095599 BBB- HIA- Caco2-
DB00651 mol2, pdbqt 98,9 -0,513 254,245 -1,4165 8 2 0 4,4457 0,9632762129152 BBB- HIA+ Caco2-
DB00652 mol2, pdbqt 23,47 -3,312 285,429 4,1792 2 1 0 3,3217 0,444204215850399 BBB+ HIA+ Caco2+
DB00653 mol2, pdbqt 82,98 1,524 98,0779 -3,4103 4 2 0 -2,0209 7,20337002000834E-02 BBB+ HIA- Caco2-
DB00654 mol2, pdbqt 86,99 -4,891 432,599 5,1735 5 3 1 -14,281 0,235248218872619 BBB+ HIA+ Caco2+
DB00655 mol2, pdbqt 37,3 -4,071 270,371 4,0203 2 1 0 -0,41823 0,301372782377268 BBB+ HIA+ Caco2+
DB00656 mol2, pdbqt 42,39 -3,23 371,871 2,2135 6 0 0 9,7934 0,49239621001137 BBB+ HIA+ Caco2-
DB00657 mol2, pdbqt 12,03 -2,325 167,295 1,9558 1 1 0 -0,72213 0,621795011427806 BBB+ HIA+ Caco2+
Page 
 of 344
Records 501 to 520 of 6870
These data are only available for scientific research purposes.