• Drug Bank
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Records 1381 to 1400 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
DB01655 mol2, pdbqt 173,23 2,144 276,133 -6,7392 10 7 1 -20,085 0,483862019307563 BBB+ HIA- Caco2-
DB01656 mol2, pdbqt 60,45 -5,261 403,211 3,842 5 1 0 -1,0635 0,349653395636848 BBB+ HIA+ Caco2+
DB01657 mol2, pdbqt 241,94 -3,062 328,367 -1,208 6 3 0 -8,373 0,441698633947545 BBB- HIA+ Caco2-
DB01658 mol2, pdbqt 290,04 0,946 424,33 -4,5607 10 4 0 -25,443 0,256545635507238 BBB+ HIA- Caco2-
DB01659 mol2, pdbqt 198,86 -2,977 267,287 -0,8632 5 2 0 -11,045 0,456568074080451 BBB+ HIA+ Caco2-
DB01661 mol2, pdbqt 422,19 5,169 719,275 -15,158 25 11 3 -29,583 0,266782623596445 BBB+ HIA- Caco2-
DB01662 mol2, pdbqt 142,23 -1,728 180,202 1,4698 3 2 0 -0,3192 0,435377401732647 BBB+ HIA+ Caco2+
DB01663 mol2, pdbqt 606,33 -9,741 873,121 7,1769 8 1 2 -4,9098 7,07557863895036E-02 BBB+ HIA+ Caco2-
DB01664 mol2, pdbqt 122,8 -0,894 172,14 -4,1747 6 3 0 -9,2486 0,491213098950837 BBB+ HIA+ Caco2-
DB01665 mol2, pdbqt 106,46 -0,979 133,154 0,0829 3 1 0 0,5875 0,806292408367512 BBB+ HIA+ Caco2+
DB01666 mol2, pdbqt 344,58 7,12 660,533 -12,749 24 6 3 -0,86353 0,365365337879787 BBB+ HIA+ Caco2-
DB01667 mol2, pdbqt 107,34 -1,991 152,117 -0,9442 7 3 0 -4,563 0,488908821036551 BBB+ HIA+ Caco2-
DB01668 mol2, pdbqt 198,8 -3,114 300,265 0,4936 6 1 0 -0,69894 0,592961814057733 BBB+ HIA+ Caco2-
DB01669 mol2, pdbqt 414,08 -3,262 525,6 3,0666 10 2 1 5,7217 0,616034942528173 BBB- HIA+ Caco2-
DB01670 mol2, pdbqt 93,29 -1,157 102,132 0,9895 2 0 0 -1,8723 0,332026238265889 BBB+ HIA+ Caco2+
DB01671 mol2, pdbqt 103,71 -0,178 338,712 0,8681 3 2 0 -1,8442 0,161623734950414 BBB+ HIA+ Caco2+
DB01672 mol2, pdbqt 110,06 -1,037 154,121 0,4533 4 3 0 -1,8442 0,444545266144843 BBB- HIA+ Caco2-
DB01673 mol2, pdbqt 486,72 1,238 750,495 -9,6994 24 10 3 -37,438 0,26153426945542 BBB- HIA- Caco2-
DB01674 mol2, pdbqt 261,6 -1,563 362,36 -2,3354 8 5 0 -6,5801 0,453095943305222 BBB- HIA+ Caco2-
DB01675 mol2, pdbqt 556,43 0,684 835,613 -9,3186 24 9 3 -56,339 0,121894220937449 BBB- HIA+ Caco2-
Page 
 of 344
Records 1381 to 1400 of 6870
These data are only available for scientific research purposes.