• Drug Bank
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 of 344
Records 1441 to 1460 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
DB01719 mol2, pdbqt 549,74 -0,172 876,918 -6,8562 23 16 3 -9,2619 0,251704887261645 BBB+ HIA- Caco2-
DB01720 mol2, pdbqt 299,43 -6,505 438,276 4,8822 5 2 0 -2,1718 0,208824390080717 BBB+ HIA+ Caco2-
DB01721 mol2, pdbqt 508,75 -5,325 670,848 4,7309 10 4 1 2,0142 0,291486794536743 BBB- HIA- Caco2-
DB01723 mol2, pdbqt 540,32 -5,481 693,787 5,1653 12 1 3 3,2815 0,129347611977859 BBB+ HIA+ Caco2+
DB01724 mol2, pdbqt 85,74 -0,295 105,136 -1,4821 3 3 0 -7,2101 0,495585336223662 BBB- HIA+ Caco2-
DB01725 mol2, pdbqt 250,89 -5,031 328,374 2,904 5 4 0 0,11579 0,50866881552293 BBB+ HIA+ Caco2-
DB01726 mol2, pdbqt 88,13 -1,396 109,128 0,6366 2 2 0 -1,8789 0,119386943615287 BBB- HIA+ Caco2+
DB01727 mol2, pdbqt 130,91 0,02 192,123 -2,292 7 4 0 0,84622 0,836540200504134 BBB+ HIA- Caco2-
DB01728 mol2, pdbqt 604,98 -7,065 691,968 7,7997 9 2 2 -58,194 8,01986872666806E-02 BBB+ HIA- Caco2-
DB01729 mol2, pdbqt 233,46 4,984 420,092 -12,792 15 9 2 -19,112 0,430715235000471 BBB+ HIA- Caco2-
DB01731 mol2, pdbqt 250,11 -3,972 426,151 3,5812 3 1 0 2,9067 0,651954846336943 BBB+ HIA+ Caco2+
DB01732 mol2, pdbqt 415,13 -5,096 538,642 4,4591 7 2 1 2,892 0,406406682183403 BBB+ HIA+ Caco2-
DB01733 mol2, pdbqt 108,83 1,25 170,057 -4,1103 6 3 0 -20,028 0,494815715399883 BBB+ HIA- Caco2-
DB01734 mol2, pdbqt 185,27 -3,052 259,216 0,7665 6 3 0 -2,5073 0,233925062471624 BBB+ HIA+ Caco2-
DB01735 mol2, pdbqt 72,53 -0,807 124,547 -2,7618 3 2 0 -6,9529 0,10669006136856 BBB+ HIA+ Caco2-
DB01736 mol2, pdbqt 270,54 -0,675 300,485 3,4672 4 1 0 -27,835 0,433704794996914 BBB+ HIA+ Caco2-
DB01737 mol2, pdbqt 323,39 -1,965 432,5 0,26 9 4 0 -3,2499 0,426897840574229 BBB+ HIA+ Caco2-
DB01738 mol2, pdbqt 96,01 1,534 141,063 -6,2446 5 3 0 -21,727 0,496313503008759 BBB+ HIA- Caco2-
DB01739 mol2, pdbqt 109,4 -1,106 131,174 -1,864 3 2 0 -10,908 0,491836921576625 BBB+ HIA+ Caco2-
DB01740 mol2, pdbqt 148,01 -2,602 245,227 2,5013 2 2 0 -8,145 0,450753270428707 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1441 to 1460 of 6870
These data are only available for scientific research purposes.