• Drug Bank
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Records 2621 to 2640 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
DB02996 mol2, pdbqt 130,5 -2,246 162,252 1,4335 2 1 0 -7,1275 0,47466733666835 BBB+ HIA+ Caco2+
DB02998 mol2, pdbqt 210,63 -3,465 284,398 3,2537 2 1 0 3,684 0,804201708943269 BBB+ HIA+ Caco2+
DB02999 mol2, pdbqt 126,14 -0,956 189,127 -4,4081 8 3 0 -9,8477 0,293936972425268 BBB+ HIA+ Caco2-
DB03000 mol2, pdbqt 146,73 -1,808 193,209 -0,5256 6 2 0 1,1782 0,409239315898399 BBB+ HIA+ Caco2-
DB03001 mol2, pdbqt 503,35 -5,822 630,819 7,1625 7 2 2 3,1291 0,165265478321746 BBB+ HIA+ Caco2-
DB03002 mol2, pdbqt 105,89 -2,336 220,005 1,751 1 1 0 -0,95319 0,357943663033624 BBB+ HIA+ Caco2+
DB03003 mol2, pdbqt 243,83 0,315 355,323 -6,7868 12 6 2 -18,566 0,461415093125529 BBB+ HIA- Caco2-
DB03004 mol2, pdbqt 269,97 -0,616 395,456 -5,0212 10 4 0 -18,323 0,441772252413118 BBB- HIA- Caco2-
DB03005 mol2, pdbqt 523,35 -9,34 661,875 7,4943 8 3 2 -6,0911 0,027664861958695 BBB+ HIA+ Caco2-
DB03006 mol2, pdbqt 114,27 1,029 217,056 1,0374 4 3 0 -1,3208 0,101823945181102 BBB+ HIA+ Caco2-
DB03007 mol2, pdbqt 255,95 -3,841 292,417 4,7347 3 1 0 -15,609 0,33154726922061 BBB+ HIA+ Caco2+
DB03008 mol2, pdbqt 122,27 -0,596 200,136 -1,6295 5 4 0 -2,2733 0,535785959919413 BBB+ HIA- Caco2-
DB03009 mol2, pdbqt 221,19 -2,553 321,322 2,2976 5 1 0 -5,14 0,44318421625217 BBB+ HIA+ Caco2-
DB03010 mol2, pdbqt 391,96 -4,686 507,69 4,4793 7 2 1 -1,208 0,291547166783737 BBB+ HIA+ Caco2-
DB03011 mol2, pdbqt 245,76 1,551 379,357 -1,9632 10 4 0 -10,687 0,104114448063144 BBB+ HIA+ Caco2-
DB03012 mol2, pdbqt 172,18 -2,004 244,27 -0,1311 6 3 0 -2,2777 0,520105338156071 BBB+ HIA+ Caco2-
DB03013 mol2, pdbqt 290,28 -0,125 424,401 -4,0917 13 8 2 0,279 0,669244374382831 BBB- HIA- Caco2-
DB03015 mol2, pdbqt 186,19 -1,176 271,252 -2,6618 9 6 1 0,11427 0,733105004027034 BBB+ HIA+ Caco2-
DB03016 mol2, pdbqt 189,89 -1,842 253,264 0,3349 6 4 0 0,11579 0,727031355272088 BBB+ HIA+ Caco2-
DB03017 mol2, pdbqt 187,46 -3,159 200,321 4,2449 2 1 0 -25,216 8,33949944002372E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2621 to 2640 of 6870
These data are only available for scientific research purposes.