• Drug Bank
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Records 1181 to 1200 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
DB01414 mol2, pdbqt 162,1 -1,341 339,327 -1,0173 9 2 0 4,2589 0,91719768423664 BBB- HIA- Caco2-
DB01415 mol2, pdbqt 216,46 -1,743 410,43 -0,7123 10 4 0 8,8947 0,855109395487589 BBB- HIA- Caco2-
DB01416 mol2, pdbqt 209,98 -2,169 427,461 -0,5641 11 3 1 17,124 0,827111463234932 BBB- HIA+ Caco2-
DB01418 mol2, pdbqt 109,42 -4,182 353,329 2,359 7 1 0 -5,7314 0,136996340697615 BBB+ HIA+ Caco2+
DB01419 mol2, pdbqt 57,7 -6,434 588,55 6,389 6 1 2 -1,2484 2,96822745816622E-02 BBB+ HIA+ Caco2-
DB01420 mol2, pdbqt 43,37 -4,741 344,493 4,4352 3 0 0 2,0301 0,337714510945895 BBB+ HIA+ Caco2+
DB01421 mol2, pdbqt 347,32 0,236 615,631 -9,1987 19 13 3 2,4903 0,5754122949826 BBB- HIA- Caco2-
DB01422 mol2, pdbqt 78,94 -2,486 190,158 0,7083 5 1 0 -7,1818 0,472724591503877 BBB+ HIA+ Caco2+
DB01423 mol2, pdbqt 137,01 -2,616 273,332 0,0801 5 2 0 -0,29234 0,660071962641276 BBB+ HIA+ Caco2-
DB01424 mol2, pdbqt 26,79 -1,05 231,298 0,3023 4 0 0 4,9526 0,208186273017425 BBB+ HIA+ Caco2+
DB01425 mol2, pdbqt 83,14 -2,293 315,376 1,0914 7 2 0 4,7647 0,726526656890403 BBB+ HIA+ Caco2-
DB01426 mol2, pdbqt 46,94 -3,484 326,438 1,791 4 2 0 3,4513 0,829929682647727 BBB+ HIA+ Caco2+
DB01427 mol2, pdbqt 68,01 -1,272 187,201 -1,0079 4 2 0 0,87177 0,499129118434024 BBB+ HIA+ Caco2+
DB01428 mol2, pdbqt 46,53 -3,438 228,246 2,3739 3 1 0 -0,94415 0,11975068099763 BBB+ HIA+ Caco2+
DB01429 mol2, pdbqt 6,48 -3,807 322,494 4,5009 2 0 0 6,195 0,406792720214926 BBB+ HIA+ Caco2+
DB01430 mol2, pdbqt 69,21 -5,756 477,561 4,8395 7 2 0 1,3656 7,72312034038526E-02 BBB+ HIA+ Caco2-
DB01431 mol2, pdbqt 20,23 -4,82 300,484 4,8944 1 1 0 -4,7421 0,136740685728683 BBB+ HIA+ Caco2+
DB01433 mol2, pdbqt 29,54 -3,211 353,504 4,0357 3 0 0 5,688 0,444110570702636 BBB+ HIA+ Caco2+
DB01434 mol2, pdbqt 202,46 -3,935 272,387 3,3084 2 0 0 0,57007 0,383193047231309 BBB+ HIA+ Caco2+
DB01435 mol2, pdbqt 23,55 -1,489 188,229 0,5819 3 0 0 -0,3775 0,245179018869534 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1181 to 1200 of 6870
These data are only available for scientific research purposes.