• Drug Bank
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Records 321 to 340 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
DB00448 mol2, pdbqt 87,08 -3,399 369,366 2,7087 5 1 0 -8,6384 0,399371422401613 BBB+ HIA+ Caco2+
DB00449 mol2, pdbqt 84,86 -2,87 351,441 2,8264 6 2 0 0,67159 0,692871669780788 BBB- HIA+ Caco2-
DB00450 mol2, pdbqt 52,65 -5,293 379,434 3,4571 5 1 0 2,3898 0,564091117547423 BBB+ HIA+ Caco2-
DB00451 mol2, pdbqt 92,78 -7,606 776,855 1,2491 5 3 1 -10,339 0,136662851737734 BBB- HIA+ Caco2-
DB00452 mol2, pdbqt 353,11 0,16 614,647 -9,5965 19 13 3 2,6059 0,578531905495461 BBB- HIA- Caco2-
DB00453 mol2, pdbqt 187,86 -2,803 508,91 -0,8753 11 7 3 5,9546 0,120601289012367 BBB- HIA+ Caco2-
DB00454 mol2, pdbqt 29,54 -2,188 247,337 2,0717 3 0 0 4,6181 0,920689533310071 BBB+ HIA+ Caco2+
DB00455 mol2, pdbqt 42,43 -4,776 382,89 4,9774 4 0 0 -4,251 0,267676334720895 BBB+ HIA+ Caco2-
DB00456 mol2, pdbqt 166,55 -2,068 396,443 0,5912 8 2 0 12,148 0,860345496799443 BBB- HIA- Caco2-
DB00457 mol2, pdbqt 106,95 -3,76 383,407 1,7845 9 1 0 6,6167 0,783953956006542 BBB+ HIA+ Caco2+
DB00458 mol2, pdbqt 6,48 -3,917 280,414 3,8909 2 0 0 4,4007 0,441066874149911 BBB+ HIA+ Caco2+
DB00459 mol2, pdbqt 46,53 -4,233 326,434 5,6182 3 1 1 -0,96677 0,205328270567818 BBB- HIA+ Caco2+
DB00460 mol2, pdbqt 168,74 -6,13 718,804 4,4733 12 3 2 -8,6414 8,11333560162368E-02 BBB+ HIA- Caco2-
DB00461 mol2, pdbqt 26,3 -3,935 228,29 3,3993 2 0 0 -3,9295 0,143818917850307 BBB+ HIA+ Caco2+
DB00462 mol2, pdbqt 62,3 -2,03 318,392 -0,2968 5 1 0 3,6541 0,912066834655178 BBB+ HIA+ Caco2+
DB00464 mol2, pdbqt 71,98 -2,459 294,454 3,3212 4 1 0 -5,6167 0,205462012742899 BBB+ HIA+ Caco2-
DB00465 mol2, pdbqt 59,3 -2,618 255,272 2,3688 4 1 0 2,5931 0,870863061942752 BBB+ HIA+ Caco2-
DB00466 mol2, pdbqt 186,53 -1,759 310,301 -1,7499 7 2 0 1,0596 0,488779558261595 BBB+ HIA+ Caco2-
DB00467 mol2, pdbqt 85,77 -3,111 320,323 -2,1183 7 2 0 2,2234 0,673797719115059 BBB- HIA+ Caco2-
DB00468 mol2, pdbqt 45,59 -3,097 324,423 2,6104 4 1 0 0,87864 0,722965631598309 BBB+ HIA+ Caco2+
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 of 344
Records 321 to 340 of 6870
These data are only available for scientific research purposes.