• Drug Bank
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 of 344
Records 6841 to 6860 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
DB13025 mol2, pdbqt 87,58 -2,143 328,432 0,7155 6 1 0 6,8059 0,546631334465034 BBB+ HIA- Caco2-
DB13092 mol2, pdbqt 181,62 -2,331 476,868 -1,2518 10 6 1 1,9883 0,427592589685436 BBB- HIA+ Caco2-
DB13139 mol2, pdbqt 72,72 -1,431 239,314 0,5792 4 4 0 8,0069 0,959706633546408 BBB- HIA+ Caco2-
DB13141 mol2, pdbqt 217,15 -4,411 378,107 2,4927 3 3 0 -1,2867 0,435644254682193 BBB+ HIA+ Caco2+
DB13142 mol2, pdbqt 217,6 0,864 358,295 -5,3325 12 9 2 -2,7914 0,487364252688363 BBB- HIA- Caco2-
DB13143 mol2, pdbqt 227,67 -4,463 286,37 4,3876 3 1 0 -0,92823 0,249539446127531 BBB+ HIA+ Caco2+
DB13145 mol2, pdbqt 35,53 0,716 303,177 -1,1088 5 2 0 -1,4094 0,342499385088318 BBB+ HIA+ Caco2-
DB13146 mol2, pdbqt 63,32 -1,054 133,122 -2,738 3 2 0 -7,1028 0,492560207532947 BBB+ HIA+ Caco2-
DB13153 mol2, pdbqt 196,52 -3,162 222,37 4,4711 1 1 0 -1,4665 0,265616539768151 BBB+ HIA+ Caco2+
DB13154 mol2, pdbqt 20,23 -2,056 128,558 1,9199 1 1 0 -2,05 0,528120371869787 BBB+ HIA+ Caco2+
DB13155 mol2, pdbqt 145,91 -1,664 340,283 -1,1833 9 5 0 -6,0331 0,460526947052575 BBB- HIA+ Caco2-
DB13156 mol2, pdbqt 129,2 -1,624 268,228 -2,266 9 4 0 1,4397 0,863016860348932 BBB+ HIA+ Caco2-
DB13157 mol2, pdbqt 253,56 -2,811 308,437 2,7788 5 1 0 -28,112 0,430983025847231 BBB+ HIA+ Caco2-
DB13158 mol2, pdbqt 71,44 -4,209 408,895 2,5881 4 1 0 -2,6795 0,108456019955204 BBB+ HIA+ Caco2+
DB13163 mol2, pdbqt 137,84 -2 172,267 1,5804 2 2 0 -0,6255 0,641623696600456 BBB+ HIA+ Caco2+
DB13164 mol2, pdbqt 110,86 -6,573 486,598 4,4558 8 2 0 -1,243 5,19334798837219E-02 BBB+ HIA+ Caco2-
DB13165 mol2, pdbqt 70,68 -2,459 323,391 1,5199 5 1 0 2,2217 0,854269322804699 BBB+ HIA+ Caco2-
DB13166 mol2, pdbqt 315,44 -4,88 429,56 3,168 5 1 0 1,7411 0,56007636052282 BBB+ HIA+ Caco2+
DB13167 mol2, pdbqt 46,53 -2,857 226,658 2,354 3 1 0 -6,9218 0,162072645293466 BBB+ HIA+ Caco2+
DB13169 mol2, pdbqt 203,56 -3,884 274,402 3,1647 2 1 0 1,3824 0,42687172197189 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6841 to 6860 of 6870
These data are only available for scientific research purposes.