• Drug Bank
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 of 344
Records 2181 to 2200 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
DB02522 mol2, pdbqt 105,58 0,774 168,041 -4,7533 6 3 0 -20,169 0,494648332017083 BBB+ HIA- Caco2-
DB02523 mol2, pdbqt 239,87 -4,034 357,414 -1,7497 10 4 0 -0,58158 0,324314976712062 BBB- HIA+ Caco2-
DB02524 mol2, pdbqt 424,19 -0,289 719,278 -11,814 27 7 3 -31,052 0,265597888882022 BBB+ HIA- Caco2-
DB02525 mol2, pdbqt 129,94 -0,12 192,17 -3,588 7 6 1 0,89648 0,841473233092855 BBB- HIA+ Caco2-
DB02526 mol2, pdbqt 256,02 -4,267 336,394 0,8105 6 3 0 -1,3575 0,469990485270917 BBB+ HIA+ Caco2-
DB02527 mol2, pdbqt 205,09 -1,653 329,208 -3,3406 11 3 1 -29,838 0,46340554444144 BBB+ HIA+ Caco2-
DB02528 mol2, pdbqt 161,15 -0,683 207,196 -1,7478 8 2 0 -4,4237 0,316822032523742 BBB+ HIA+ Caco2+
DB02529 mol2, pdbqt 228,05 -0,813 301,342 -3,6281 8 3 0 1,2472 0,844470314718508 BBB- HIA- Caco2-
DB02531 mol2, pdbqt 74,62 -0,889 88,1055 0,3736 2 1 0 -2,82 0,311689065793875 BBB+ HIA+ Caco2+
DB02532 mol2, pdbqt 130,94 -3,137 175,194 0,1023 5 3 0 -1,9084 0,249353155609532 BBB+ HIA+ Caco2+
DB02534 mol2, pdbqt 117,91 -2,032 134,177 2,3423 1 1 0 -4,9267 0,136017704667416 BBB+ HIA+ Caco2+
DB02535 mol2, pdbqt 250,65 -1,231 331,392 -1,2408 8 3 0 -14,507 0,27902614253302 BBB+ HIA+ Caco2-
DB02536 mol2, pdbqt 72 -0,056 90,0776 -1,6559 3 2 0 -3,7931 0,405627443095199 BBB+ HIA+ Caco2-
DB02537 mol2, pdbqt 296,33 -3,061 386,403 -0,5471 8 5 0 -13,207 0,120964330837464 BBB- HIA+ Caco2-
DB02538 mol2, pdbqt 208,28 -4,344 267,291 1,3512 6 1 0 2,4675 0,763961519361321 BBB+ HIA+ Caco2+
DB02540 mol2, pdbqt 348,4 -3,401 482,448 0,515 12 7 2 -8,606 0,35357290168288 BBB- HIA- Caco2-
DB02541 mol2, pdbqt 68,14 -0,586 90,1453 -0,3652 2 2 0 -7,8632 0,49424312489304 BBB+ HIA+ Caco2+
DB02542 mol2, pdbqt 117,25 -1,181 149,164 -2,0896 3 2 0 -11,788 0,490811733707203 BBB+ HIA+ Caco2-
DB02543 mol2, pdbqt 86,93 -0,677 111,1 -0,0788 3 2 0 2,0725 0,930666170712403 BBB+ HIA+ Caco2-
DB02544 mol2, pdbqt 334,37 -4,837 459,45 6,5879 3 0 1 -7,8093 0,182456192309639 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2181 to 2200 of 6870
These data are only available for scientific research purposes.