• Drug Bank
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 of 344
Records 4121 to 4140 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
DB04623 mol2, pdbqt 468,7 -6,251 625,72 4,1048 10 4 1 -19,566 5,55557534588119E-02 BBB- HIA+ Caco2-
DB04624 mol2, pdbqt 298,97 -4,61 414,409 2,2839 8 4 0 -6,8652 0,201640743714007 BBB- HIA+ Caco2+
DB04626 mol2, pdbqt 359,18 -0,287 539,581 -7,3925 16 11 3 0,81641 0,583097901090265 BBB- HIA- Caco2-
DB04627 mol2, pdbqt 146,98 -1,136 226,187 -2,0824 7 2 0 0,13755 0,447167525016966 BBB+ HIA+ Caco2-
DB04628 mol2, pdbqt 423,46 -0,521 622,622 -5,5962 18 9 3 -2,0254 0,329399517307907 BBB- HIA- Caco2-
DB04629 mol2, pdbqt 891,87 -6,627 1076,46 7,8261 17 2 3 3,3916 9,07905632875165E-02 BBB- HIA- Caco2-
DB04630 mol2, pdbqt 257,61 -3,344 360,448 1,1012 5 2 0 -1,4128 0,180557431855257 BBB+ HIA+ Caco2+
DB04631 mol2, pdbqt 264,05 -4,386 366,24 2,1881 6 2 0 2,9311 0,123634789709488 BBB+ HIA+ Caco2-
DB04632 mol2, pdbqt 345,08 -5,923 471,551 3,2246 7 3 0 3,8525 0,467013011881977 BBB- HIA+ Caco2-
DB04633 mol2, pdbqt 196,24 -1,149 201,356 0,6403 3 3 0 1,081 0,508317018417785 BBB+ HIA+ Caco2+
DB04634 mol2, pdbqt 175,09 -2,242 223,227 0,7652 5 2 0 -25,038 0,473236319941695 BBB+ HIA+ Caco2-
DB04636 mol2, pdbqt 163,25 -1,412 202,253 -0,4555 5 2 0 -49,872 0,485502991745702 BBB+ HIA+ Caco2-
DB04637 mol2, pdbqt 121,04 -2,1 181,072 2,2284 1 1 0 -35,339 6,05997324229423E-02 BBB+ HIA+ Caco2+
DB04638 mol2, pdbqt 180,34 -3,344 222,327 4,132 2 2 0 -5,276 0,23227976294974 BBB+ HIA+ Caco2+
DB04639 mol2, pdbqt 191,9 -3,627 241,289 0,11 3 2 0 -11,045 0,438185706612371 BBB+ HIA+ Caco2+
DB04640 mol2, pdbqt 177,72 -0,434 288,3 -1,6046 6 2 0 -3,0093 0,501441564355687 BBB+ HIA+ Caco2-
DB04641 mol2, pdbqt 144,66 -2,643 204,181 1,6477 4 3 0 -1,8442 0,527039053006553 BBB+ HIA+ Caco2+
DB04642 mol2, pdbqt 354,36 -6,94 487,766 5,7428 7 3 1 -12,235 8,57762879745179E-02 BBB+ HIA- Caco2-
DB04643 mol2, pdbqt 313,08 -6,13 445,685 4,3796 7 3 0 -2,3377 0,111081525515662 BBB+ HIA- Caco2-
DB04644 mol2, pdbqt 322,18 -6,082 439,294 4,4614 7 3 0 -2,3258 0,139803746888446 BBB+ HIA- Caco2-
Page 
 of 344
Records 4121 to 4140 of 6870
These data are only available for scientific research purposes.