• Drug Bank
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Records 1021 to 1040 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
DB01182 mol2, pdbqt 58,56 -3,949 341,449 3,0837 4 2 0 2,3809 0,729537912686052 BBB- HIA+ Caco2-
DB01183 mol2, pdbqt 70 -2,885 327,379 1,5276 5 2 0 0,78037 0,741557133084964 BBB+ HIA+ Caco2+
DB01184 mol2, pdbqt 67,92 -5,877 425,919 3,2161 7 2 0 8,5287 0,512877889326604 BBB+ HIA+ Caco2-
DB01185 mol2, pdbqt 57,53 -3,903 336,445 2,8198 3 2 0 2,1527 0,443239064791499 BBB+ HIA+ Caco2+
DB01186 mol2, pdbqt 44,33 -4,053 314,495 4,1329 2 1 0 4,1164 0,415017823790388 BBB+ HIA+ Caco2+
DB01187 mol2, pdbqt 26,3 -5,566 416,337 6,4768 2 0 1 -25,081 0,174850592161295 BBB+ HIA+ Caco2+
DB01188 mol2, pdbqt 40,54 -2,587 207,272 1,4285 3 1 0 -6,5699 0,280022882563993 BBB+ HIA+ Caco2+
DB01189 mol2, pdbqt 9,23 -2,345 168,036 1,1955 1 0 0 -20,039 0,284364430533304 BBB+ HIA+ Caco2+
DB01190 mol2, pdbqt 131,05 -2,348 424,988 1,0855 7 4 0 1,9248 0,276145090815449 BBB- HIA- Caco2-
DB01191 mol2, pdbqt 12,03 -3,06 231,26 3,06 1 1 0 -4,0427 0,438182277155814 BBB+ HIA+ Caco2+
DB01192 mol2, pdbqt 70 -2,376 301,341 0,8524 5 2 0 4,8562 0,914675412234243 BBB+ HIA+ Caco2+
DB01193 mol2, pdbqt 87,66 -3,534 336,43 1,7048 6 3 0 5,5213 0,833559585884439 BBB- HIA+ Caco2-
DB01194 mol2, pdbqt 163,8 -0,872 383,513 0,2924 8 2 0 4,7695 0,88603601708234 BBB+ HIA+ Caco2-
DB01195 mol2, pdbqt 59,59 -4,556 414,345 3,2379 5 2 0 -6,4259 0,324231924383031 BBB+ HIA+ Caco2+
DB01196 mol2, pdbqt 49,77 -5,835 440,409 5,4757 4 1 1 0,061719 6,16161910210285E-02 BBB+ HIA+ Caco2+
DB01197 mol2, pdbqt 96,41 -1,715 217,288 0,366 4 1 0 -0,95684 0,614059227606439 BBB+ HIA+ Caco2+
DB01198 mol2, pdbqt 91,76 -1,742 388,814 0,7142 9 0 0 3,3902 0,858977521316044 BBB+ HIA+ Caco2+
DB01199 mol2, pdbqt 83,86 -6,441 609,741 4,8738 8 2 1 6,0885 0,275966408244466 BBB+ HIA- Caco2+
DB01200 mol2, pdbqt 118,21 -3,939 654,604 3,7651 10 3 1 6,4514 0,263148078691673 BBB- HIA+ Caco2-
DB01201 mol2, pdbqt 220,15 -7,608 877,041 5,9266 16 6 4 7,1061 0,06236305236596 BBB- HIA+ Caco2-
Page 
 of 344
Records 1021 to 1040 of 6870
These data are only available for scientific research purposes.