• Drug Bank
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 of 344
Records 4021 to 4040 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
DB04516 mol2, pdbqt 164,15 1,727 246,151 -5,3678 8 6 1 -23,773 0,488354358951346 BBB+ HIA- Caco2-
DB04517 mol2, pdbqt 317,14 -2,243 420,417 0,268 10 6 1 1,1713 0,733312876179364 BBB+ HIA+ Caco2-
DB04518 mol2, pdbqt 227,33 -3,706 298,369 3,2118 5 2 0 2,2582 0,75702949476316 BBB+ HIA+ Caco2-
DB04519 mol2, pdbqt 132,42 -2,079 144,213 2,4273 2 1 0 -25,323 0,168012382620238 BBB+ HIA+ Caco2+
DB04520 mol2, pdbqt 189,91 -1,683 260,292 0,5081 5 2 0 7,238 0,950669141300016 BBB- HIA+ Caco2-
DB04521 mol2, pdbqt 347,8 -2,273 463,55 -2,424 11 6 2 -20,498 0,389455275397685 BBB- HIA- Caco2-
DB04522 mol2, pdbqt 118,85 1,681 185,072 -7,1616 7 4 0 -25,276 0,494105894297811 BBB+ HIA- Caco2-
DB04523 mol2, pdbqt 199,74 -3,265 241,33 1,9747 4 1 0 -61,654 0,442105997361364 BBB+ HIA+ Caco2+
DB04524 mol2, pdbqt 559,28 1,272 853,584 -11,016 26 10 3 -46,145 0,253301265885074 BBB- HIA- Caco2-
DB04525 mol2, pdbqt 464,38 -4,134 599,635 1,8896 13 6 3 -3,2284 0,2666450699434 BBB- HIA+ Caco2-
DB04526 mol2, pdbqt 136,86 0,38 210,181 -3,1882 7 6 1 -0,98186 0,500167466868006 BBB+ HIA- Caco2-
DB04527 mol2, pdbqt 103,74 0,172 148,118 -5,2326 6 4 0 -4,3391 0,501354189821277 BBB+ HIA- Caco2-
DB04528 mol2, pdbqt 126,95 -2,24 184,107 -0,5293 7 1 0 -7,5665 0,47906237683724 BBB+ HIA+ Caco2-
DB04529 mol2, pdbqt 889,99 -8,119 1306,08 -3,8308 30 19 3 -0,93702 0,133573552903781 BBB- HIA- Caco2-
DB04530 mol2, pdbqt 141,23 -1,203 197,278 -2,5062 4 3 0 -6,7877 0,488558767770763 BBB- HIA+ Caco2-
DB04531 mol2, pdbqt 163,39 -2,362 211,284 -1,3577 3 2 0 -6,2848 0,476458981876894 BBB+ HIA+ Caco2+
DB04532 mol2, pdbqt 97,43 -2,141 117,151 1,699 1 1 0 -0,69049 0,228298342595936 BBB+ HIA+ Caco2+
DB04533 mol2, pdbqt 100,39 -1,74 123,154 0,9805 2 2 0 -1,925 0,196346033777887 BBB- HIA+ Caco2+
DB04534 mol2, pdbqt 119,86 -2,15 163,136 -0,0515 5 1 0 -3,1321 0,500691697691741 BBB+ HIA+ Caco2+
DB04537 mol2, pdbqt 158,48 -2,142 203,244 -0,1808 4 3 0 -2,0217 0,534315394696322 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4021 to 4040 of 6870
These data are only available for scientific research purposes.