• Drug Bank
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Records 3761 to 3780 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
DB04228 mol2, pdbqt 131,08 -0,53 183,162 -2,7433 5 4 0 -6,9543 0,492104382987778 BBB- HIA+ Caco2-
DB04229 mol2, pdbqt 385,72 0,574 511,619 -7,8418 13 5 2 -6,0121 0,366500051476911 BBB+ HIA- Caco2-
DB04230 mol2, pdbqt 523,83 0,456 794,496 -10,448 26 9 3 -35,237 0,256543715821422 BBB- HIA- Caco2-
DB04231 mol2, pdbqt 256,16 -7,13 371,891 -2,158 10 6 1 -1,8942 0,284942688504695 BBB+ HIA+ Caco2-
DB04232 mol2, pdbqt 321,81 -2,39 449,483 0,9538 10 2 0 -11,268 0,394253489032246 BBB- HIA+ Caco2-
DB04233 mol2, pdbqt 278,51 -1,781 306,441 2,4069 5 1 0 -42,505 0,217055961208443 BBB+ HIA+ Caco2+
DB04234 mol2, pdbqt 322,93 -4,964 441,364 3,561 6 2 0 -21,962 0,284638580771274 BBB+ HIA+ Caco2-
DB04235 mol2, pdbqt 112,16 -1,216 131,174 -1,6279 3 2 0 -3,1751 0,510899728963213 BBB+ HIA+ Caco2-
DB04236 mol2, pdbqt 152,32 -2,084 190,245 0,5666 3 3 0 -6,6468 0,287504500788169 BBB+ HIA+ Caco2-
DB04237 mol2, pdbqt 134,04 -0,329 163,216 -1,0243 4 4 0 -2,9538 0,517209552607435 BBB+ HIA+ Caco2-
DB04238 mol2, pdbqt 368,94 -3,771 508,597 2,5829 9 4 1 -0,54068 0,428828675073999 BBB- HIA+ Caco2-
DB04239 mol2, pdbqt 233,75 -4,687 312,396 1,1024 5 3 0 1,5335 0,677771489462515 BBB+ HIA+ Caco2-
DB04240 mol2, pdbqt 318,08 -4,867 430,495 2,8064 7 4 0 1,0121 0,535551034695788 BBB- HIA+ Caco2+
DB04241 mol2, pdbqt 235,11 0,665 334,264 -5,295 9 5 0 -15,156 0,469085737542369 BBB- HIA- Caco2-
DB04242 mol2, pdbqt 103,71 -1,333 138,122 0,799 3 2 0 -1,8442 0,332088670048532 BBB+ HIA+ Caco2+
DB04243 mol2, pdbqt 213,77 0,801 338,208 -5,4404 11 5 1 -19,519 0,467915926818321 BBB+ HIA- Caco2-
DB04244 mol2, pdbqt 370,55 -4,428 481,615 3,6325 7 3 0 3,0584 0,55969438011136 BBB- HIA+ Caco2-
DB04246 mol2, pdbqt 271,66 -5,103 372,451 2,339 6 5 0 -0,21299 0,469994793895595 BBB+ HIA+ Caco2-
DB04248 mol2, pdbqt 321,63 0,851 504,436 -6,295 16 11 3 -11,5 0,371142111258875 BBB+ HIA- Caco2-
DB04249 mol2, pdbqt 437,03 -6,206 566,7 -0,5988 8 6 2 -0,98935 0,255604659429511 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3761 to 3780 of 6870
These data are only available for scientific research purposes.