• Drug Bank
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Records 61 to 80 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
DB00173 mol2, pdbqt 80,48 -2,269 135,13 -0,347 5 2 0 -0,021492 9,30869361811506E-02 BBB+ HIA+ Caco2-
DB00174 mol2, pdbqt 106,41 -0,227 132,119 -4,2108 5 3 0 -13,655 0,494903585396462 BBB+ HIA+ Caco2-
DB00175 mol2, pdbqt 124,29 -3,533 424,532 2,4541 7 4 0 3,1264 0,731924744155273 BBB+ HIA+ Caco2-
DB00176 mol2, pdbqt 56,84 -3,757 318,338 3,15 4 1 0 -11,561 0,392843076501233 BBB+ HIA+ Caco2-
DB00177 mol2, pdbqt 112,07 -6,173 435,526 3,79 8 2 0 -7,2551 0,230560966686981 BBB- HIA+ Caco2-
DB00178 mol2, pdbqt 95,94 -3,371 416,516 0,6183 7 2 0 -3,8863 0,40285397802433 BBB- HIA+ Caco2-
DB00179 mol2, pdbqt 80,92 -2,93 302,369 3,8236 4 4 0 -2,4175 0,258729981509521 BBB- HIA+ Caco2+
DB00180 mol2, pdbqt 93,06 -3,712 434,502 1,3033 6 2 0 0,79255 0,62740285363883 BBB+ HIA+ Caco2+
DB00181 mol2, pdbqt 63,32 -2,537 213,663 -0,4206 3 2 0 -0,50092 0,64988265260939 BBB+ HIA+ Caco2+
DB00182 mol2, pdbqt 26,02 -2,066 135,209 1,4539 1 1 0 -1,4507 0,340951407222986 BBB+ HIA+ Caco2+
DB00183 mol2, pdbqt 276,21 -5,439 767,902 0,6675 16 8 3 -46,834 0,179544302338641 BBB- HIA+ Caco2-
DB00184 mol2, pdbqt 16,13 -0,792 162,235 1,1707 2 0 0 4,4595 0,968167048104294 BBB+ HIA+ Caco2+
DB00185 mol2, pdbqt 37,77 -1,468 199,317 1,686 2 0 0 5,8352 0,954324831350042 BBB+ HIA+ Caco2+
DB00186 mol2, pdbqt 61,69 -5,246 321,162 2,8818 4 2 0 2,2844 0,369204199439931 BBB+ HIA+ Caco2+
DB00187 mol2, pdbqt 67,79 -2,344 295,378 1,5866 5 2 0 -2,0404 0,509655653672052 BBB- HIA+ Caco2+
DB00188 mol2, pdbqt 124,44 0,031 384,242 1,9321 8 4 0 -6,7443 0,439195864182908 BBB- HIA- Caco2-
DB00189 mol2, pdbqt 20,23 -2,175 144,6 1,2579 1 1 0 0,2825 0,230105081443566 BBB+ HIA+ Caco2+
DB00190 mol2, pdbqt 115,81 -1,335 226,231 -0,8973 6 5 0 -2,6469 0,309738338179908 BBB- HIA+ Caco2-
DB00191 mol2, pdbqt 26,02 -2,175 149,236 1,8345 1 1 0 -1,0446 0,357420245070284 BBB+ HIA+ Caco2+
DB00192 mol2, pdbqt 55,12 -4,143 308,424 3,078 3 2 0 4,1281 0,271562919748603 BBB+ HIA+ Caco2+
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 of 344
Records 61 to 80 of 6870
These data are only available for scientific research purposes.