• Drug Bank
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Records 5201 to 5220 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
DB07538 mol2, pdbqt 267,49 -4,466 417,387 1,6416 7 3 0 -1,9877 0,139779782650292 BBB- HIA+ Caco2-
DB07539 mol2, pdbqt 225,03 -3,802 314,32 1,5144 6 3 0 4,1473 0,295973342790779 BBB- HIA+ Caco2-
DB07540 mol2, pdbqt 248,5 -3,417 363,417 1,0137 7 3 0 5,7753 0,498894356986123 BBB- HIA+ Caco2-
DB07541 mol2, pdbqt 308,74 -1,694 467,306 1,8615 9 4 0 -19,338 0,384005198304952 BBB- HIA+ Caco2-
DB07542 mol2, pdbqt 236,07 -3,273 285,426 0,4942 4 3 0 -6,3069 0,444271340696282 BBB- HIA+ Caco2-
DB07543 mol2, pdbqt 236,88 -3,994 298,385 2,5774 4 3 0 7,0483 0,796550447645857 BBB+ HIA+ Caco2+
DB07544 mol2, pdbqt 271,44 -4,202 418,778 2,653 6 2 0 -5,3262 0,210182528078558 BBB+ HIA+ Caco2-
DB07545 mol2, pdbqt 298,41 -6,2 413,402 4,7482 6 3 0 -4,1832 0,212254149663169 BBB+ HIA+ Caco2-
DB07546 mol2, pdbqt 288,4 -2,521 376,419 2,9338 8 2 0 4,7675 0,819904048317004 BBB+ HIA+ Caco2-
DB07547 mol2, pdbqt 286,83 -6,196 398,462 3,3882 6 2 0 -4,6548 0,252559153929769 BBB- HIA+ Caco2-
DB07548 mol2, pdbqt 316,44 -1,823 432,405 -0,467 8 2 0 1,348 0,742178243277266 BBB+ HIA+ Caco2-
DB07549 mol2, pdbqt 335,81 -2,167 448,448 -0,1231 8 4 0 1,348 0,717214138816713 BBB+ HIA+ Caco2-
DB07550 mol2, pdbqt 324,13 -5,479 467,834 0,2854 8 2 0 -0,10979 0,404170019083987 BBB+ HIA+ Caco2-
DB07551 mol2, pdbqt 204,3 -3,661 254,724 2,1063 6 2 0 -4,0124 5,61123747533618E-02 BBB+ HIA+ Caco2-
DB07552 mol2, pdbqt 204,3 -3,661 254,724 2,1063 6 2 0 -4,0124 5,61123747533618E-02 BBB+ HIA+ Caco2-
DB07553 mol2, pdbqt 232,24 -4,24 301,307 3,9754 3 1 0 -40,004 0,349434582828154 BBB+ HIA+ Caco2+
DB07555 mol2, pdbqt 226,69 -5,796 369,214 3,8071 4 1 0 -15,831 0,264636308359397 BBB+ HIA+ Caco2-
DB07556 mol2, pdbqt 291,76 -2,159 393,463 0,873 8 2 0 5,1711 0,85721627759648 BBB- HIA+ Caco2-
DB07557 mol2, pdbqt 238,94 -4,806 316,483 4,1235 2 0 0 -0,3055 0,160873943403674 BBB+ HIA+ Caco2+
DB07558 mol2, pdbqt 325,53 -3,337 383,531 1,7846 7 3 0 -8,6903 0,406629257579505 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5201 to 5220 of 6870
These data are only available for scientific research purposes.