• Drug Bank
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Records 6721 to 6740 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
DB09309 mol2, pdbqt 602,31 -4,357 785,965 2,5739 15 4 2 1,384 0,221080170618868 BBB- HIA+ Caco2-
DB09313 mol2, pdbqt 194,24 -9,125 1268,86 2,3088 13 6 3 5,3079 0,147199045858691 BBB- HIA- Caco2-
DB09314 mol2, pdbqt 68,28 -0,53 162,902 0 4 0 0 -2,5375 0,527237943616596 BBB+ HIA+ Caco2-
DB09316 mol2, pdbqt 0 -1,231 239,833 0 0 0 0 -1 0,612021529104995 BBB+ HIA+ Caco2+
DB09320 mol2, pdbqt 112,01 -2,037 334,395 1,5375 6 2 0 10,726 0,324972729779043 BBB- HIA- Caco2-
DB09321 mol2, pdbqt 17,07 -0,53 81,389 0,3317 1 0 0 -4,7675 0,497398415707043 BBB+ HIA+ Caco2+
DB09322 mol2, pdbqt 82,98 1,524 98,0779 -3,4103 4 2 0 -2,0209 7,20337002000834E-02 BBB+ HIA- Caco2-
DB09323 mol2, pdbqt 112,01 -2,037 334,395 1,5375 6 2 0 10,726 0,324972729779043 BBB- HIA- Caco2-
DB09324 mol2, pdbqt 100,13 -0,47 233,243 -0,1556 6 1 0 3,9525 0,963250695583564 BBB- HIA- Caco2-
DB09327 mol2, pdbqt 58,64 -2,031 200,168 -0,0357 5 1 0 -5,2813 0,482161881822105 BBB+ HIA+ Caco2-
DB09330 mol2, pdbqt 87,55 -4,455 499,617 3,4175 9 2 0 -5,4185 8,64895443967314E-02 BBB+ HIA+ Caco2-
DB09332 mol2, pdbqt 176,44 -0,754 330,125 -7,9223 8 0 0 -7,295 0,280911313012373 BBB+ HIA+ Caco2+
DB09333 mol2, pdbqt 52,9 -4,772 597,947 2,4006 4 1 1 0,49501 0,180684999452757 BBB+ HIA- Caco2+
DB09338 mol2, pdbqt 105,09 -2,47 483,869 0,3963 7 3 0 2,8383 0,295468380411584 BBB- HIA+ Caco2-
DB09340 mol2, pdbqt 66,4 -6,224 641,012 4,1937 4 2 1 0,14296 0,184158295473726 BBB+ HIA+ Caco2+
DB09342 mol2, pdbqt 64,79 -2,444 294,393 2,1984 5 1 0 7,7652 0,194314274106187 BBB+ HIA+ Caco2+
DB09343 mol2, pdbqt 85,29 -1,17 242,665 -0,8335 6 3 0 3,3255 0,455818859541279 BBB+ HIA+ Caco2-
DB09345 mol2, pdbqt 30,93 -2,252 293,405 2,9579 4 0 0 -3,3074 0,272967718219232 BBB+ HIA+ Caco2+
DB09346 mol2, pdbqt 86,71 -5,337 627,929 2,1128 6 2 1 3,4262 0,239704637986159 BBB+ HIA- Caco2+
DB09347 mol2, pdbqt 66,4 -5,019 556,851 2,1597 4 2 1 1,1157 0,425629954731628 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6721 to 6740 of 6870
These data are only available for scientific research purposes.