• Drug Bank
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Records 5081 to 5100 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
DB07413 mol2, pdbqt 367,39 -5,384 466,649 2,9018 9 4 0 -16,989 0,265468596523095 BBB- HIA+ Caco2-
DB07414 mol2, pdbqt 278,17 -3,755 396,466 2,8142 6 1 0 5,4887 0,747343639416412 BBB- HIA+ Caco2-
DB07415 mol2, pdbqt 290,43 -4,399 386,382 2,1638 8 2 0 -5,3292 0,361062663628861 BBB+ HIA+ Caco2-
DB07416 mol2, pdbqt 263,73 -3,091 302,409 3,6152 5 1 0 -26,19 0,40292492852679 BBB+ HIA+ Caco2+
DB07418 mol2, pdbqt 230,48 -3,298 340,183 -0,6661 10 1 0 -39,007 0,258688027372664 BBB+ HIA- Caco2-
DB07419 mol2, pdbqt 287,95 -5,489 416,757 3,5859 5 2 0 -7,7636 0,161707209750896 BBB+ HIA+ Caco2-
DB07420 mol2, pdbqt 268,2 -2,921 386,36 -1,2595 7 3 0 -14,594 0,423725551166671 BBB+ HIA- Caco2-
DB07421 mol2, pdbqt 290,95 -4,731 411,335 1,5994 8 3 0 -14,273 0,335954620047032 BBB- HIA+ Caco2-
DB07422 mol2, pdbqt 299,89 -5,696 474,259 2,6259 7 2 0 -8,5346 0,201207254176473 BBB- HIA+ Caco2-
DB07423 mol2, pdbqt 309,61 -4,468 441,361 1,8256 9 3 0 -7,9102 0,266676557796867 BBB- HIA+ Caco2-
DB07424 mol2, pdbqt 261,8 -2,71 368,345 -2,9653 6 1 0 -10,634 0,436205710237769 BBB+ HIA- Caco2-
DB07425 mol2, pdbqt 262,53 -4,383 328,407 4,0646 4 2 0 -1,2377 0,40938027665489 BBB- HIA+ Caco2+
DB07426 mol2, pdbqt 306,24 -3,554 450,319 -2,7397 8 5 0 -11,294 0,371928155899749 BBB+ HIA- Caco2-
DB07427 mol2, pdbqt 190,06 -2,548 229,278 2,3347 3 0 0 -1,8577 0,517407543784218 BBB+ HIA+ Caco2+
DB07428 mol2, pdbqt 190,06 -2,524 229,278 2,2807 3 0 0 -1,8577 0,518733447153888 BBB+ HIA+ Caco2+
DB07429 mol2, pdbqt 295,88 -3,714 455,328 3,0486 7 2 0 1,7559 0,63170759822969 BBB- HIA+ Caco2-
DB07430 mol2, pdbqt 273,63 -5,611 374,467 3,2076 5 2 0 4,9333 0,568669682294436 BBB+ HIA+ Caco2-
DB07431 mol2, pdbqt 201,77 -3,141 277,347 0,3499 5 3 0 4,0805 0,890705402960962 BBB+ HIA+ Caco2-
DB07432 mol2, pdbqt 283,74 -3,078 381,384 0,4018 10 5 0 -6,8811 0,121242144982599 BBB- HIA+ Caco2-
DB07433 mol2, pdbqt 209,63 -2,255 259,305 -0,2148 7 3 0 -57,356 0,470846097263328 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5081 to 5100 of 6870
These data are only available for scientific research purposes.