• Drug Bank
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Records 3881 to 3900 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
DB04362 mol2, pdbqt 383,4 -1,18 596,406 -5,5283 18 6 3 -27,76 0,183888656960882 BBB- HIA- Caco2-
DB04363 mol2, pdbqt 451,15 -5,535 586,687 3,8708 10 5 1 1,2063 0,335335427794074 BBB- HIA+ Caco2-
DB04364 mol2, pdbqt 74,62 -0,777 88,1055 -0,1888 2 1 0 -2,381 0,535004885833594 BBB+ HIA+ Caco2+
DB04365 mol2, pdbqt 128,56 -0,262 155,196 0,3138 3 0 0 3,0974 0,346348453118894 BBB+ HIA+ Caco2+
DB04366 mol2, pdbqt 263,58 0,255 426,218 -9,7361 15 6 2 -26,062 0,15331505968869 BBB+ HIA- Caco2-
DB04367 mol2, pdbqt 176,68 -0,942 245,241 -1,6734 7 5 0 3,4721 0,954042297741045 BBB+ HIA+ Caco2-
DB04368 mol2, pdbqt 270,96 -1,795 329,439 0,9203 7 2 0 -8,0037 0,458526573929156 BBB+ HIA+ Caco2-
DB04369 mol2, pdbqt 68,47 1,968 87,8697 -0,5426 3 1 0 -14,817 0,397622664015557 BBB+ HIA+ Caco2-
DB04370 mol2, pdbqt 124,8 -0,507 201,223 -5,1163 6 3 0 -9,8767 0,490541871110117 BBB+ HIA+ Caco2-
DB04371 mol2, pdbqt 240,2 -3,846 372,445 1,2796 7 1 0 2,6542 0,766311786139639 BBB+ HIA+ Caco2-
DB04372 mol2, pdbqt 701,25 -6,522 783,1 9,9653 9 1 2 -56,399 7,66115973398834E-02 BBB+ HIA- Caco2-
DB04373 mol2, pdbqt 430,15 -6,134 531,695 4,7922 7 4 1 2,056 0,191930551636394 BBB- HIA+ Caco2-
DB04374 mol2, pdbqt 249,04 -3,414 299,438 3,8511 5 2 0 -10,055 0,385836906768092 BBB+ HIA+ Caco2-
DB04376 mol2, pdbqt 272,78 -2,273 406,473 0,5411 7 4 0 -2,2987 0,166057746232355 BBB+ HIA+ Caco2-
DB04377 mol2, pdbqt 118,24 -0,454 162,14 -0,8534 5 3 0 1,1896 0,869959848826638 BBB+ HIA+ Caco2-
DB04378 mol2, pdbqt 430,15 -6,134 531,695 4,7922 7 4 1 2,056 0,191930551636394 BBB- HIA+ Caco2-
DB04379 mol2, pdbqt 140,12 -1,652 163,219 1,2551 2 0 0 4,2276 0,573812697834624 BBB+ HIA+ Caco2+
DB04380 mol2, pdbqt 125,56 -0,84 176,132 -3,1577 8 5 0 -2,0235 0,548439422160184 BBB+ HIA- Caco2-
DB04381 mol2, pdbqt 71,8 -1,004 70,0906 0,4948 1 0 0 -7,9028 6,37050402901246E-02 BBB+ HIA+ Caco2+
DB04382 mol2, pdbqt 112,92 -0,148 164,156 -1,7687 5 4 0 -0,051048 0,733849343910978 BBB+ HIA- Caco2-
Page 
 of 344
Records 3881 to 3900 of 6870
These data are only available for scientific research purposes.