• Drug Bank
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Records 4041 to 4060 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
DB04538 mol2, pdbqt 107,48 -0,311 147,129 -3,5947 5 3 0 -10,097 0,494142668308195 BBB- HIA+ Caco2-
DB04539 mol2, pdbqt 116,86 0,343 170,08 -6,2784 6 4 0 -15,074 0,177889475429007 BBB+ HIA- Caco2-
DB04540 mol2, pdbqt 311,54 -6,239 386,661 7,1825 1 1 1 -2,132 0,167421980884224 BBB+ HIA+ Caco2+
DB04541 mol2, pdbqt 111,3 -0,466 154,168 -0,9128 4 1 0 6,8864 0,985135412196136 BBB+ HIA+ Caco2-
DB04542 mol2, pdbqt 276,37 1,147 428,21 -6,8145 15 5 1 -30,922 0,425286327805139 BBB- HIA+ Caco2-
DB04543 mol2, pdbqt 208,32 -3,387 288,334 -0,1775 7 4 0 1,742 0,815266933345952 BBB+ HIA+ Caco2-
DB04544 mol2, pdbqt 177,81 1,011 264,233 -3,8487 9 7 1 -2,3045 0,529482382543353 BBB- HIA- Caco2-
DB04545 mol2, pdbqt 109,29 0,02 147,173 -1,6171 4 4 0 2,1131 0,935619263792448 BBB- HIA+ Caco2-
DB04546 mol2, pdbqt 185,3 -0,656 266,256 -2,3835 8 5 0 0,38269 0,769312778245686 BBB+ HIA+ Caco2-
DB04547 mol2, pdbqt 595,48 -7,682 778,989 3,5638 12 6 3 1,7282 0,183899766612543 BBB- HIA- Caco2-
DB04548 mol2, pdbqt 116,91 -0,13 178,139 -2,1183 6 4 0 -1,2163 0,605411153231045 BBB+ HIA- Caco2-
DB04549 mol2, pdbqt 232,14 -3,785 344,312 1,5829 5 2 0 2,0545 0,767053461643209 BBB+ HIA+ Caco2-
DB04551 mol2, pdbqt 197,42 3,542 340,113 -9,2607 12 7 2 -22,159 0,467950990331715 BBB+ HIA- Caco2-
DB04552 mol2, pdbqt 62,22 -3,715 282,22 2,8739 4 2 0 -8,0595 0,244670622623404 BBB+ HIA+ Caco2+
DB04553 mol2, pdbqt 81,37 -0,651 102,089 -0,4433 3 1 0 -6,3761 0,494505968869267 BBB+ HIA+ Caco2-
DB04554 mol2, pdbqt 280,04 -0,272 506,098 -6,6442 15 6 3 -32,502 0,368803227563373 BBB+ HIA- Caco2-
DB04555 mol2, pdbqt 245,59 1,925 403,176 -8,7951 14 6 2 -34,208 0,440202447370433 BBB+ HIA- Caco2-
DB04556 mol2, pdbqt 139,19 -0,905 165,235 1,2235 2 1 0 3,8424 0,961830842896157 BBB+ HIA+ Caco2+
DB04557 mol2, pdbqt 293,46 -4,407 304,472 6,8713 2 1 1 -19,111 0,222745833553308 BBB+ HIA+ Caco2+
DB04559 mol2, pdbqt 138,26 -2,336 185,614 0,8312 4 4 0 0,7726 0,799330010471942 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4041 to 4060 of 6870
These data are only available for scientific research purposes.