• Drug Bank
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Records 2661 to 2680 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
DB03041 mol2, pdbqt 349,11 1,956 580,284 -9,4196 20 9 3 -34,75 0,318897142480257 BBB+ HIA- Caco2-
DB03042 mol2, pdbqt 154,38 2,015 246,107 -6,1718 9 6 1 -20,085 0,488437414260029 BBB+ HIA- Caco2-
DB03043 mol2, pdbqt 134,71 -1,771 257,15 -1,6374 4 3 0 -12,895 0,477547266421926 BBB+ HIA+ Caco2-
DB03044 mol2, pdbqt 414,82 -6,546 527,667 5,0942 8 2 2 1,6094 0,101515104355578 BBB+ HIA+ Caco2-
DB03045 mol2, pdbqt 309,45 -1,679 388,459 0,6244 9 3 0 -13,961 0,262510042547591 BBB- HIA- Caco2-
DB03046 mol2, pdbqt 247,51 -3,141 344,394 0,2095 7 2 0 5,1078 0,414711618479344 BBB+ HIA+ Caco2-
DB03047 mol2, pdbqt 627,4 -6,465 709,942 7,4475 9 2 2 -55,255 5,16682548399721E-02 BBB+ HIA+ Caco2-
DB03048 mol2, pdbqt 120,99 -1,253 170,124 -1,194 6 3 0 1,2006 0,865056267307383 BBB+ HIA- Caco2-
DB03049 mol2, pdbqt 83,12 -0,831 200,12 -2,7739 3 2 0 -8,6369 0,489568036420921 BBB+ HIA+ Caco2-
DB03051 mol2, pdbqt 87,88 -0,844 116,116 -0,4056 3 1 0 -3,8662 0,502688694271002 BBB+ HIA+ Caco2-
DB03052 mol2, pdbqt 182,6 -1,062 232,238 0,542 5 1 0 3,1827 0,94649982660946 BBB+ HIA+ Caco2-
DB03053 mol2, pdbqt 82,92 -0,714 137,075 -5,0304 4 3 0 -11,409 0,493453259482146 BBB+ HIA- Caco2-
DB03054 mol2, pdbqt 81,89 -3,935 252,731 2,0278 0 0 0 -4,7873 5,42145587477909E-02 BBB+ HIA+ Caco2+
DB03056 mol2, pdbqt 144,6 -1,312 168,283 1,2456 2 1 0 1,0404 0,841244347671712 BBB+ HIA+ Caco2+
DB03057 mol2, pdbqt 66,34 -0,67 72,0628 -0,8464 2 0 0 -4,3464 0,108196235530814 BBB+ HIA+ Caco2+
DB03058 mol2, pdbqt 101,89 -1,576 123,154 0,385 2 2 0 -1,8773 0,331020350229527 BBB+ HIA+ Caco2+
DB03059 mol2, pdbqt 565,19 0,825 851,612 -10,338 25 9 3 -49,43 0,151950238284546 BBB- HIA+ Caco2-
DB03060 mol2, pdbqt 264,22 -5,627 337,382 2,4725 7 2 0 -1,2852 0,370348326588259 BBB+ HIA+ Caco2+
DB03061 mol2, pdbqt 136,56 -2,378 143,229 1,867 2 1 0 -7,1636 0,470116543832554 BBB+ HIA+ Caco2+
DB03062 mol2, pdbqt 322,56 -3,606 404,469 2,0565 7 1 0 3,3541 0,759168828911325 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2661 to 2680 of 6870
These data are only available for scientific research purposes.