• Drug Bank
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 of 344
Records 3841 to 3860 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
DB04315 mol2, pdbqt 267,97 0,938 443,201 -8,4282 16 7 2 -30,858 0,415475813235106 BBB+ HIA- Caco2-
DB04316 mol2, pdbqt 170,64 -2,201 224,215 -0,1533 6 4 0 -9,1877 0,475773603638462 BBB+ HIA+ Caco2-
DB04317 mol2, pdbqt 141,59 -0,677 234,959 -1,8701 5 3 0 -11,978 8,40788813202821E-02 BBB+ HIA+ Caco2-
DB04318 mol2, pdbqt 535,95 -4,803 694,766 4,6817 10 6 2 -18,486 0,166333179755157 BBB+ HIA- Caco2-
DB04320 mol2, pdbqt 74,99 -1,519 136,976 0,912 1 1 0 -8,6856 0,233021882709228 BBB+ HIA+ Caco2+
DB04321 mol2, pdbqt 160,7 -1,764 194,21 0,7852 3 1 0 -42,736 0,480918407473665 BBB+ HIA+ Caco2+
DB04322 mol2, pdbqt 326,7 -3,727 443,459 0,6652 11 7 2 -7,5128 0,368173540778754 BBB- HIA- Caco2-
DB04323 mol2, pdbqt 181,71 -0,839 265,289 -6,3855 8 5 0 -3,7388 0,49335869617953 BBB+ HIA- Caco2-
DB04324 mol2, pdbqt 228,12 -1,989 298,377 1,3608 5 2 0 3,1958 0,90647312982698 BBB- HIA+ Caco2-
DB04325 mol2, pdbqt 109,3 -1,688 121,182 1,0946 1 1 0 -2,3195 0,253017574028312 BBB+ HIA+ Caco2+
DB04327 mol2, pdbqt 644,75 -8,145 749,083 9,6173 9 2 2 -58,194 6,88667432354743E-02 BBB+ HIA- Caco2-
DB04328 mol2, pdbqt 159,24 1,256 254,13 -4,8596 8 5 0 -17,877 0,487091448820218 BBB+ HIA- Caco2-
DB04329 mol2, pdbqt 106,62 -2,427 129,162 1,8531 1 0 0 -1,8447 0,192136279570697 BBB+ HIA+ Caco2+
DB04330 mol2, pdbqt 408,82 -8,118 608,457 4,6238 9 2 1 -0,88769 5,85761272332843E-02 BBB- HIA+ Caco2-
DB04331 mol2, pdbqt 223,19 -2,435 292,358 1,7232 5 3 0 -1,6238 0,530258195452351 BBB- HIA+ Caco2-
DB04332 mol2, pdbqt 182,19 0,139 208,253 -0,7258 5 1 0 -20,349 0,23541335416657 BBB+ HIA+ Caco2+
DB04333 mol2, pdbqt 140,62 -1,742 144,261 1,0546 2 2 0 -11,951 0,289639026377309 BBB+ HIA+ Caco2+
DB04334 mol2, pdbqt 150,15 -0,745 211,172 -3,4891 6 3 0 -9,1471 0,39118551477385 BBB- HIA+ Caco2-
DB04336 mol2, pdbqt 217,94 -3,649 288,737 2,0953 5 4 0 0,42105 0,674989551204636 BBB+ HIA+ Caco2-
DB04337 mol2, pdbqt 48,23 -0,283 42,0608 -0,2809 1 0 0 -1,204 0,292730425325759 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3841 to 3860 of 6870
These data are only available for scientific research purposes.