• Drug Bank
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 of 344
Records 4221 to 4240 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
DB04727 mol2, pdbqt 381,72 -9,938 537,472 5,713 8 3 2 -6,743 2,01075627680837E-02 BBB+ HIA+ Caco2-
DB04728 mol2, pdbqt 502,16 0,137 761,773 -10,184 23 15 3 -2,5112 0,279088516665902 BBB- HIA- Caco2-
DB04729 mol2, pdbqt 318,82 -0,887 449,547 -4,916 12 8 2 4,2571 0,811098954151699 BBB- HIA- Caco2-
DB04731 mol2, pdbqt 170,77 0,905 258,186 -5,4081 8 3 0 -32,624 0,389051359765348 BBB+ HIA- Caco2-
DB04732 mol2, pdbqt 344,96 -1,855 441,334 3,595 8 4 0 -5,0693 0,22241886405376 BBB- HIA- Caco2-
DB04733 mol2, pdbqt 209,36 3,706 342,129 -9,6334 12 8 2 -22,533 0,467276790870232 BBB+ HIA- Caco2-
DB04734 mol2, pdbqt 98,67 -0,37 130,099 -0,3124 4 2 0 -1,3975 0,591279243141612 BBB+ HIA+ Caco2-
DB04735 mol2, pdbqt 585,7 -7,111 688,98 9,0485 10 4 2 -28,664 7,70488864899866E-02 BBB- HIA- Caco2-
DB04736 mol2, pdbqt 655,75 -1,586 921,904 -9,0742 27 13 3 -25,913 0,24756419714262 BBB- HIA- Caco2-
DB04737 mol2, pdbqt 113,82 -1,719 133,15 0,5946 2 1 0 -5,2408 0,140424148150573 BBB+ HIA+ Caco2+
DB04738 mol2, pdbqt 603,33 -4,613 767,918 3,4986 15 6 3 1,7935 0,349687939995884 BBB- HIA- Caco2-
DB04739 mol2, pdbqt 377,65 -4,039 479,586 3,5944 8 2 0 8,726 0,606232991935288 BBB+ HIA+ Caco2-
DB04740 mol2, pdbqt 294,77 -0,971 422,345 -1,5354 12 5 1 -4,1995 0,431588408489572 BBB- HIA- Caco2-
DB04741 mol2, pdbqt 396,46 -3,873 487,687 5,3302 6 1 1 3,8068 0,473025443147964 BBB+ HIA+ Caco2-
DB04742 mol2, pdbqt 235,29 -2,296 326,396 0,1623 6 2 0 1,5134 0,829178107644662 BBB- HIA- Caco2-
DB04743 mol2, pdbqt 109,6 -5,46 308,313 1,1823 7 1 0 -7,2946 0,327615227374616 BBB+ HIA+ Caco2-
DB04744 mol2, pdbqt 126,32 -2,773 174,155 0,9396 3 1 0 0,75575 0,470854991689493 BBB+ HIA+ Caco2+
DB04745 mol2, pdbqt 115,47 -2,412 145,161 0,9471 2 1 0 -0,43887 0,661294442744021 BBB+ HIA+ Caco2+
DB04746 mol2, pdbqt 267,98 -4,323 280,45 6,4669 2 1 1 -25,234 0,238581526163578 BBB+ HIA+ Caco2+
DB04747 mol2, pdbqt 266,96 -4,095 278,434 6,2147 2 1 1 -18,99 0,203495081645702 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4221 to 4240 of 6870
These data are only available for scientific research purposes.