• Drug Bank
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Records 4001 to 4020 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
DB04495 mol2, pdbqt 432,26 -4,301 579,588 0,6484 10 4 1 -15,707 0,26473552658511 BBB+ HIA- Caco2-
DB04496 mol2, pdbqt 147,1 1,511 231,096 -4,983 9 6 1 -22,316 0,392066100323183 BBB+ HIA- Caco2-
DB04497 mol2, pdbqt 372,78 2,576 644,335 -16,211 22 11 3 -31,53 0,287508666297755 BBB+ HIA- Caco2-
DB04498 mol2, pdbqt 91,92 -0,384 117,104 -3,6757 4 2 0 -13,195 0,297012701852813 BBB+ HIA+ Caco2-
DB04499 mol2, pdbqt 103,67 -1,545 120,151 1,3782 1 0 0 -4,6785 0,105379031663335 BBB+ HIA+ Caco2+
DB04500 mol2, pdbqt 138,83 -1,971 179,174 0,8484 4 2 0 0,49861 0,778027331315887 BBB+ HIA+ Caco2+
DB04501 mol2, pdbqt 111,64 -2,8 138,253 2,8877 0 0 0 -4,5081 0,451409006879475 BBB+ HIA+ Caco2+
DB04502 mol2, pdbqt 467,32 -7,242 600,734 6,4304 8 2 2 -8,1898 0,100543801567164 BBB+ HIA- Caco2-
DB04503 mol2, pdbqt 293,95 -1,467 428,417 -0,8666 11 4 1 -6,0574 0,419957412450222 BBB+ HIA+ Caco2-
DB04504 mol2, pdbqt 87,06 -1,081 98,1484 -0,3894 2 1 0 0,53778 0,802653496082646 BBB+ HIA+ Caco2+
DB04505 mol2, pdbqt 322,67 -4,586 415,88 2,6729 8 1 0 -1,5064 0,235065558441604 BBB+ HIA+ Caco2+
DB04506 mol2, pdbqt 714,14 -10,736 885,199 11,561 10 2 2 -13,444 3,80405433361048E-02 BBB+ HIA+ Caco2-
DB04508 mol2, pdbqt 148,31 0,93 208,233 -1,6242 5 3 0 -3,1 0,512896999943535 BBB- HIA- Caco2-
DB04509 mol2, pdbqt 241,94 -2,62 342,414 0,4518 5 2 0 3,4226 0,876108096998544 BBB+ HIA+ Caco2+
DB04510 mol2, pdbqt 116,68 1,757 186,056 -5,037 7 4 0 -20,321 0,494054241231327 BBB+ HIA- Caco2-
DB04511 mol2, pdbqt 188,2 -1,264 249,286 -0,62 6 3 0 -9,7509 0,481710121377325 BBB+ HIA+ Caco2-
DB04512 mol2, pdbqt 143,82 -1,526 166,223 1,4254 3 0 0 -1,6847 0,556756367593496 BBB+ HIA+ Caco2+
DB04513 mol2, pdbqt 254,4 -4,46 340,874 3,4848 4 2 0 -10,958 0,208355765180745 BBB+ HIA+ Caco2-
DB04514 mol2, pdbqt 375,22 -0,62 589,41 -6,4807 20 9 3 -33,232 0,311770075660631 BBB+ HIA- Caco2-
DB04515 mol2, pdbqt 126,07 -0,384 178,183 -1,2662 5 3 0 -0,225 0,710383947775863 BBB- HIA- Caco2+
Page 
 of 344
Records 4001 to 4020 of 6870
These data are only available for scientific research purposes.