• Drug Bank
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 of 344
Records 6121 to 6140 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
DB08512 mol2, pdbqt 262,97 -5,769 356,388 2,3647 7 4 0 2,348 0,161997838724364 BBB+ HIA+ Caco2-
DB08513 mol2, pdbqt 289,61 -4,975 377,403 2,7925 8 4 0 -0,12696 0,476442528652228 BBB+ HIA+ Caco2-
DB08514 mol2, pdbqt 224,31 -4,173 312,356 1,0369 7 4 0 4,2949 0,794590352694258 BBB+ HIA+ Caco2-
DB08515 mol2, pdbqt 203,98 -2,115 279,335 -0,4019 5 2 0 -6,1686 0,225892328290212 BBB+ HIA+ Caco2-
DB08516 mol2, pdbqt 238,92 -3,88 300,332 2,2597 4 1 0 -1,4095 0,487444064257308 BBB+ HIA+ Caco2+
DB08517 mol2, pdbqt 208,49 -2,954 286,282 2,4314 5 2 0 -0,0783 0,648973062054488 BBB+ HIA+ Caco2+
DB08519 mol2, pdbqt 315,19 -5,06 406,445 3,2765 9 3 0 1,2522 0,535116559563865 BBB+ HIA+ Caco2+
DB08520 mol2, pdbqt 355,39 -4,004 437,575 4,7013 7 0 0 -19,003 0,171486836913531 BBB+ HIA+ Caco2+
DB08521 mol2, pdbqt 280,96 -5,242 377,442 3,5687 4 1 0 -0,19517 0,427933121175584 BBB+ HIA+ Caco2+
DB08522 mol2, pdbqt 226,13 -3,69 293,344 3,127 3 0 0 3,2381 0,786858760504099 BBB+ HIA+ Caco2+
DB08523 mol2, pdbqt 151,3 -1,974 181,234 0,9684 3 2 0 -0,43001 0,11539505710167 BBB+ HIA+ Caco2-
DB08524 mol2, pdbqt 224,48 -3,748 285,298 1,4077 5 1 0 1,6503 0,777801609525544 BBB+ HIA+ Caco2-
DB08525 mol2, pdbqt 161,75 -1,7 194,233 0,6063 4 1 0 0,10644 0,735878841703622 BBB+ HIA+ Caco2-
DB08526 mol2, pdbqt 336,87 -3,804 408,537 2,6725 7 3 0 -11,957 0,369485936510883 BBB- HIA+ Caco2-
DB08527 mol2, pdbqt 241,88 -2,938 356,365 -0,7389 9 3 0 6,1228 0,521876760997225 BBB+ HIA+ Caco2-
DB08528 mol2, pdbqt 216,35 -4,689 286,354 2,2109 4 1 0 -10,008 0,13290925120875 BBB+ HIA+ Caco2+
DB08529 mol2, pdbqt 311,97 -2,346 396,399 -0,1304 6 4 0 -27,66 0,428172315544213 BBB+ HIA- Caco2-
DB08530 mol2, pdbqt 268,97 -2,172 355,421 1,0741 8 1 0 4,6039 0,886089726257207 BBB+ HIA+ Caco2-
DB08531 mol2, pdbqt 270,37 -5,801 370,242 2,9401 5 1 0 4,1858 0,559883834943169 BBB+ HIA+ Caco2+
DB08532 mol2, pdbqt 245,88 -5,307 319,342 1,8678 5 1 0 0,4725 0,534291431571012 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6121 to 6140 of 6870
These data are only available for scientific research purposes.