• Drug Bank
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Records 4181 to 4200 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
DB04686 mol2, pdbqt 238,58 -1,422 333,299 -3,5059 9 4 0 -1,2243 0,341481249864021 BBB- HIA+ Caco2-
DB04687 mol2, pdbqt 103,1 -0,99 142,115 -0,3802 3 1 0 -5,3591 8,52567593207756E-02 BBB+ HIA+ Caco2-
DB04688 mol2, pdbqt 146,7 -0,969 199,249 -0,0776 4 1 0 -0,18672 0,708689234589952 BBB+ HIA+ Caco2+
DB04689 mol2, pdbqt 407,85 -7,301 521,611 6,1592 6 1 2 -6,4044 7,28795898569515E-02 BBB+ HIA+ Caco2-
DB04690 mol2, pdbqt 239,85 -2,741 348,357 1,1838 6 1 0 5,3292 0,874616745972928 BBB- HIA+ Caco2-
DB04691 mol2, pdbqt 292,66 1,258 432,325 -5,5452 13 4 1 -13,398 0,422729879692045 BBB- HIA- Caco2-
DB04692 mol2, pdbqt 442,8 -4,421 558,673 2,4893 11 4 2 -17,472 0,262723886031495 BBB- HIA+ Caco2-
DB04693 mol2, pdbqt 204,01 -4,199 274,402 3,4129 2 0 0 -0,54401 0,512147823480094 BBB+ HIA+ Caco2+
DB04694 mol2, pdbqt 177,72 0,205 286,207 -4,0665 9 7 1 -1,5245 0,566776902222065 BBB+ HIA- Caco2-
DB04695 mol2, pdbqt 299,55 -0,41 398,395 0,7167 6 3 0 -15,855 9,45557322742292E-02 BBB+ HIA- Caco2-
DB04696 mol2, pdbqt 317,42 -7,07 560,624 6,789 4 2 2 -2,9225 5,31434354950599E-02 BBB+ HIA+ Caco2+
DB04697 mol2, pdbqt 596,26 -5,94 767,973 -0,3068 17 9 3 3,1379 0,324863293058734 BBB- HIA+ Caco2-
DB04698 mol2, pdbqt 231,26 -5,693 343,322 2,3865 9 2 0 1,2595 0,534842858830652 BBB+ HIA+ Caco2-
DB04699 mol2, pdbqt 69,03 -0,973 86,0896 -0,0202 2 0 0 -5,6615 6,40215048304749E-02 BBB+ HIA+ Caco2+
DB04700 mol2, pdbqt 237,75 0,043 339,324 -6,9892 11 6 2 -20,14 0,466757156884351 BBB+ HIA- Caco2-
DB04701 mol2, pdbqt 238,43 -0,708 321,353 -4,6827 9 5 0 -18,838 0,470560190579208 BBB+ HIA+ Caco2-
DB04702 mol2, pdbqt 235,06 0,566 330,277 -1,4551 6 3 0 -16,047 0,101494441745111 BBB+ HIA- Caco2-
DB04703 mol2, pdbqt 410,61 -2,751 610,563 -0,814 15 8 3 2,0396 0,542028116753854 BBB- HIA+ Caco2-
DB04704 mol2, pdbqt 315,8 -5,789 402,66 6,323 2 2 1 -0,61195 0,151382662307636 BBB+ HIA+ Caco2+
DB04705 mol2, pdbqt 315,8 -5,789 402,66 6,323 2 2 1 -2,6487 0,186564370652423 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4181 to 4200 of 6870
These data are only available for scientific research purposes.