• Drug Bank
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Records 3561 to 3580 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
DB04015 mol2, pdbqt 119,63 -0,96 169,184 -3,562 3 2 0 -12,798 0,491039269680941 BBB+ HIA+ Caco2-
DB04016 mol2, pdbqt 485,7 -8,371 670,7 4,8242 8 2 1 -3,1706 6,93338036548376E-02 BBB+ HIA- Caco2-
DB04017 mol2, pdbqt 215,51 -3,423 272,174 2,983 2 0 0 4,173 0,107324230983002 BBB+ HIA+ Caco2+
DB04018 mol2, pdbqt 96,84 -0,951 118,203 0,4182 2 2 0 0,083087 0,746242886927657 BBB+ HIA+ Caco2-
DB04020 mol2, pdbqt 371,88 -5,687 485,054 5,1053 7 3 1 2,0085 6,17466127603157E-02 BBB+ HIA+ Caco2-
DB04021 mol2, pdbqt 238,42 -2,486 270,415 2,3284 4 1 0 -1,8355 0,513950775070031 BBB+ HIA+ Caco2+
DB04022 mol2, pdbqt 348,6 4,145 603,159 -13,799 22 10 3 -24,746 0,30618374334658 BBB+ HIA- Caco2-
DB04023 mol2, pdbqt 374,16 1,38 619,325 -9,272 22 11 3 -29,043 0,29794828791586 BBB+ HIA- Caco2-
DB04024 mol2, pdbqt 245,27 -2,103 353,338 -3,4484 12 6 2 -1,9633 0,182403405869272 BBB+ HIA+ Caco2-
DB04026 mol2, pdbqt 107,95 -1,206 141,213 0,5015 2 1 0 1,8332 0,909661990582405 BBB+ HIA+ Caco2+
DB04027 mol2, pdbqt 140,19 -0,156 174,203 -3,4377 6 5 0 -10,428 0,493113125505709 BBB+ HIA+ Caco2-
DB04028 mol2, pdbqt 105,07 -0,655 148,157 -0,842 4 3 0 1,2336 0,873905146017133 BBB- HIA+ Caco2-
DB04029 mol2, pdbqt 134,31 -1,617 164,207 -0,2202 3 2 0 -2,6942 0,516968751282565 BBB+ HIA+ Caco2-
DB04030 mol2, pdbqt 298,87 -3,341 398,461 3,7711 5 2 0 4,0988 0,716916833781321 BBB+ HIA+ Caco2-
DB04031 mol2, pdbqt 137,03 5,515 220,031 -3,8429 8 3 0 -6,8792 0,492067800944786 BBB+ HIA- Caco2-
DB04032 mol2, pdbqt 356,94 -5,573 483,675 4,1717 6 2 0 -3,5923 8,25667792770851E-02 BBB+ HIA+ Caco2-
DB04033 mol2, pdbqt 243,42 -2,411 320,344 0,8248 7 2 0 -10,846 0,454043509647197 BBB- HIA+ Caco2-
DB04034 mol2, pdbqt 149,29 1,946 230,108 -5,8534 8 5 0 -20,603 0,294195405875037 BBB+ HIA- Caco2-
DB04035 mol2, pdbqt 238,75 -0,516 330,128 0,0153 10 5 0 -5,165 0,469625081703619 BBB- HIA- Caco2-
DB04036 mol2, pdbqt 519,75 4,745 799,604 -9,1538 23 9 3 -30,173 7,39216696642644E-02 BBB- HIA- Caco2-
Page 
 of 344
Records 3561 to 3580 of 6870
These data are only available for scientific research purposes.