• Drug Bank
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Records 3861 to 3880 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
DB04338 mol2, pdbqt 258,63 -2,79 338,389 2,3101 6 2 0 1,1138 0,755913414040009 BBB+ HIA+ Caco2-
DB04339 mol2, pdbqt 125,92 -0,488 179,195 -3,6212 5 3 0 -6,1055 0,493153924409519 BBB- HIA+ Caco2-
DB04340 mol2, pdbqt 135,2 -0,823 202,102 -1,3625 5 2 0 -16,795 0,391229965264848 BBB+ HIA+ Caco2-
DB04341 mol2, pdbqt 326,19 -3,433 523,343 -2,416 9 5 1 -12,13 0,326640486326859 BBB+ HIA- Caco2-
DB04342 mol2, pdbqt 351,17 -1,822 520,478 -1,3645 15 4 2 4,9139 0,701873489140478 BBB- HIA- Caco2-
DB04343 mol2, pdbqt 57,14 -0,167 74,0349 -1,4381 3 1 0 -3,9942 0,303066910551937 BBB+ HIA+ Caco2-
DB04345 mol2, pdbqt 174,82 -3,546 242,237 1,0428 6 2 0 1,4617 0,794796389266471 BBB+ HIA+ Caco2-
DB04346 mol2, pdbqt 94,74 0,063 150,129 -1,6553 5 4 0 -0,070052 0,732978893562583 BBB+ HIA- Caco2-
DB04347 mol2, pdbqt 118,02 -0,375 172,136 -1,4721 5 3 0 1,1133 0,863086285574885 BBB- HIA+ Caco2-
DB04348 mol2, pdbqt 364,15 -3,996 515,709 1,2391 8 5 1 -4,8607 0,31336336969993 BBB+ HIA+ Caco2-
DB04349 mol2, pdbqt 64,72 -0,348 76,0945 -0,5169 2 2 0 -4,5108 0,500498577107133 BBB+ HIA+ Caco2-
DB04350 mol2, pdbqt 494,59 -2,014 674,713 -3,4672 19 8 3 5,1945 0,323901314661706 BBB- HIA- Caco2-
DB04351 mol2, pdbqt 124,27 -0,115 174,108 -1,1343 6 3 0 0,77523 0,830029616648895 BBB+ HIA+ Caco2-
DB04352 mol2, pdbqt 139,28 1,702 230,108 -5,3545 8 5 0 -22,728 0,490257513535209 BBB+ HIA- Caco2-
DB04353 mol2, pdbqt 541,56 -4,59 685,819 3,5861 12 7 3 -11,118 0,198096776108178 BBB+ HIA+ Caco2-
DB04356 mol2, pdbqt 110,42 -0,795 150,141 -1,2041 5 4 0 1,928 0,921820627996301 BBB+ HIA+ Caco2-
DB04357 mol2, pdbqt 229,87 -3,259 313,296 -0,2218 9 5 0 -0,22761 0,634017620406149 BBB+ HIA+ Caco2-
DB04359 mol2, pdbqt 72,97 -0,321 108,117 -1,5479 3 1 0 -4,6938 0,499597635933968 BBB+ HIA+ Caco2-
DB04360 mol2, pdbqt 131,1 -0,836 178,019 2,2107 2 2 0 -12,034 0,476858209880585 BBB+ HIA+ Caco2-
DB04361 mol2, pdbqt 46,12 -0,508 44,0568 -0,1243 2 1 0 -1,204 0,608887086964178 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3861 to 3880 of 6870
These data are only available for scientific research purposes.