• Drug Bank
Page 
 of 344
Records 6041 to 6060 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
DB08424 mol2, pdbqt 276,08 -4,048 371,367 0,5755 7 3 0 2,684 0,755417715427689 BBB+ HIA+ Caco2-
DB08426 mol2, pdbqt 293,62 -2,501 427,508 1,0538 8 2 0 7,0839 0,811889132988754 BBB+ HIA+ Caco2-
DB08427 mol2, pdbqt 161,97 -0,774 226,183 -1,4469 6 3 0 -11,778 0,487067417648817 BBB+ HIA+ Caco2-
DB08428 mol2, pdbqt 139,15 -1,937 165,235 0,8865 2 2 0 -3,5539 0,4939844827902 BBB+ HIA+ Caco2+
DB08429 mol2, pdbqt 349,12 -4,595 478,011 2,1034 7 2 0 1,4167 0,550298225487938 BBB+ HIA+ Caco2-
DB08430 mol2, pdbqt 212,58 -2,245 317,317 -0,6878 8 4 0 -7,1229 0,460279399110886 BBB+ HIA- Caco2-
DB08431 mol2, pdbqt 142,48 -1,101 194,166 -1,219 4 2 0 -12,128 0,488402759166855 BBB+ HIA+ Caco2-
DB08432 mol2, pdbqt 223,53 -1,372 338,276 -2,715 9 4 0 -6,5331 0,106700841443439 BBB+ HIA+ Caco2-
DB08433 mol2, pdbqt 136,38 -2,489 184,215 1,5603 3 0 0 -4,0437 0,476585288388619 BBB+ HIA+ Caco2-
DB08434 mol2, pdbqt 209,3 -0,429 315,217 -2,8806 8 4 0 -16,091 0,472926194727541 BBB+ HIA+ Caco2-
DB08435 mol2, pdbqt 280,9 -3,889 316,439 5,2984 3 1 1 -16,242 0,296799313217326 BBB+ HIA+ Caco2+
DB08436 mol2, pdbqt 249,18 -4,183 325,371 2,7674 7 1 0 0,38915 0,607834029376869 BBB+ HIA+ Caco2+
DB08437 mol2, pdbqt 347,13 -3,659 471,516 -0,7488 12 4 1 0,69417 0,212742621859217 BBB- HIA+ Caco2-
DB08438 mol2, pdbqt 357,33 -4,058 432,552 4,8088 8 5 0 -27,36 0,281417768049802 BBB+ HIA+ Caco2-
DB08439 mol2, pdbqt 97,65 -5,05 370,428 3,5137 6 1 0 5,3078 0,614762019588592 BBB+ HIA+ Caco2-
DB08440 mol2, pdbqt 181,45 -3,37 237,261 1,9953 4 1 0 0,43291 0,564255610857559 BBB+ HIA+ Caco2+
DB08441 mol2, pdbqt 239,91 -3,849 384,257 2,1351 7 3 0 -4,697 0,233298478471088 BBB+ HIA+ Caco2-
DB08442 mol2, pdbqt 226,31 -2,791 297,353 3,3246 4 2 0 3,9678 0,39955745755032 BBB+ HIA+ Caco2+
DB08443 mol2, pdbqt 159,02 -1,907 219,195 1,2317 5 3 0 1,5925 0,87078722549589 BBB+ HIA+ Caco2+
DB08444 mol2, pdbqt 289,59 -7,272 420,269 3,4934 6 1 0 -4,975 0,215543884688012 BBB+ HIA+ Caco2-
Page 
 of 344
Records 6041 to 6060 of 6870
These data are only available for scientific research purposes.