• Drug Bank
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 of 344
Records 3001 to 3020 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
DB03405 mol2, pdbqt 467,38 -5,46 594,706 4,0629 11 3 2 5,8321 0,369794044233141 BBB- HIA+ Caco2-
DB03406 mol2, pdbqt 143,43 -0,859 210,249 -1,3523 5 3 0 -9,3698 0,488267409337581 BBB- HIA- Caco2-
DB03407 mol2, pdbqt 109,63 -1,484 155,109 0,0466 5 2 0 -7,5665 0,487456515927647 BBB- HIA+ Caco2-
DB03408 mol2, pdbqt 181,57 -1,223 250,274 -3,9828 7 4 0 -26,166 0,482614385395695 BBB+ HIA- Caco2-
DB03409 mol2, pdbqt 128,36 -1,872 169,223 -1,6277 3 2 0 -6,2915 0,485546942707865 BBB+ HIA+ Caco2-
DB03410 mol2, pdbqt 118,57 -1,903 162,144 1,1152 3 1 0 -2,8254 0,5070094207916 BBB+ HIA+ Caco2+
DB03411 mol2, pdbqt 95,53 0,072 133,146 -1,9037 4 4 0 3,0691 0,968369845840667 BBB- HIA+ Caco2-
DB03412 mol2, pdbqt 120,01 -0,709 147,173 -2,5546 4 3 0 -25,14 0,295767858616838 BBB+ HIA+ Caco2-
DB03413 mol2, pdbqt 238,22 1,666 388,161 -7,3926 13 5 1 -29,764 0,286669754022558 BBB+ HIA- Caco2-
DB03414 mol2, pdbqt 127,67 -0,146 195,238 -1,6267 5 5 0 1,4545 0,889910017316405 BBB- HIA- Caco2-
DB03415 mol2, pdbqt 620,19 -0,528 911,775 -7,8391 24 9 3 -36,605 0,250351377623362 BBB- HIA+ Caco2-
DB03416 mol2, pdbqt 248,68 0,819 345,339 -2,6594 8 3 0 -15,684 0,279243290457307 BBB+ HIA- Caco2-
DB03417 mol2, pdbqt 331,68 -1,254 427,504 -0,8656 12 6 2 0,16941 0,648783468149757 BBB- HIA- Caco2-
DB03418 mol2, pdbqt 420,59 -10,817 648,495 3,1189 10 3 1 -3,9427 0,081897347374497 BBB+ HIA+ Caco2-
DB03419 mol2, pdbqt 84,92 -1,252 112,088 -1,0412 4 2 0 0,13545 0,162779727185827 BBB+ HIA+ Caco2-
DB03420 mol2, pdbqt 237,54 0,016 334,328 -3,7502 11 8 2 0,84177 0,79556544705643 BBB- HIA- Caco2-
DB03421 mol2, pdbqt 204,3 -3,154 266,299 1,3069 4 1 0 3,8468 0,884891508237069 BBB+ HIA+ Caco2+
DB03422 mol2, pdbqt 92,06 -0,646 129,139 -0,024 3 1 0 2,0285 0,927460690881301 BBB+ HIA+ Caco2+
DB03423 mol2, pdbqt 247,46 -2,826 431,31 -4,1565 11 5 1 -14,254 0,402128735677086 BBB- HIA+ Caco2-
DB03424 mol2, pdbqt 243,59 -2,321 308,377 -1,3738 6 4 0 -2,4764 0,497270131356843 BBB- HIA+ Caco2-
Page 
 of 344
Records 3001 to 3020 of 6870
These data are only available for scientific research purposes.