• Drug Bank
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Records 4161 to 4180 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
DB04665 mol2, pdbqt 114,01 -2,37 146,145 1,4974 2 0 0 -3,3182 0,105687032696227 BBB+ HIA+ Caco2+
DB04666 mol2, pdbqt 264,28 -2,056 346,386 -4,3721 8 4 0 -6,8011 0,272802764518122 BBB- HIA+ Caco2-
DB04667 mol2, pdbqt 270,26 -0,24 355,353 -3,358 9 4 0 -6,8655 0,36879906024475 BBB- HIA+ Caco2-
DB04668 mol2, pdbqt 251,63 -0,847 345,31 -1,2981 9 4 0 -2,2354 0,304102980195278 BBB- HIA+ Caco2-
DB04669 mol2, pdbqt 255,33 -5,365 383,252 0,9731 6 2 0 2,0852 0,594846295845502 BBB+ HIA+ Caco2-
DB04671 mol2, pdbqt 192,77 -0,355 279,34 -5,6758 8 6 1 -10,918 0,481172982848451 BBB- HIA- Caco2-
DB04672 mol2, pdbqt 202,46 0,295 304,194 -3,918 9 3 0 -16,093 0,47700158788225 BBB+ HIA+ Caco2-
DB04673 mol2, pdbqt 386,64 -3,449 539,058 3,4915 9 1 1 6,1847 0,574064099152249 BBB- HIA+ Caco2-
DB04674 mol2, pdbqt 156,27 -3,365 389,906 1,6732 3 2 0 -0,91701 0,415218198808407 BBB+ HIA+ Caco2+
DB04675 mol2, pdbqt 711,94 -4,98 910,075 2,0959 19 7 3 6,8892 0,368942002712947 BBB- HIA- Caco2-
DB04676 mol2, pdbqt 282,88 -3,343 379,479 -0,323 7 3 0 -20,529 0,149442997561743 BBB+ HIA+ Caco2-
DB04677 mol2, pdbqt 172,64 -2,129 189,301 2,7471 1 0 0 3,2575 0,899071860566198 BBB+ HIA+ Caco2+
DB04678 mol2, pdbqt 348,9 0,07 529,49 -5,3579 16 10 3 -0,5714 0,479045231384291 BBB- HIA- Caco2-
DB04679 mol2, pdbqt 349,01 0,0060001 529,49 -5,1852 16 10 3 0,59006 0,578353017530183 BBB- HIA- Caco2-
DB04680 mol2, pdbqt 271,75 -1,67 350,406 0,5458 8 4 0 -27,729 0,453741776336235 BBB- HIA- Caco2-
DB04681 mol2, pdbqt 235,73 0,423 356,323 -4,03 11 7 2 -13,883 0,461122149772335 BBB- HIA- Caco2-
DB04682 mol2, pdbqt 1301,1 -1,173 1527,91 1,6615 31 1 2 -23,683 0,116687350552654 BBB+ HIA+ Caco2+
DB04683 mol2, pdbqt 647,14 -6,944 747 9,7613 10 3 2 -60,644 7,44028477683623E-02 BBB+ HIA+ Caco2-
DB04684 mol2, pdbqt 207,12 -2,067 215,383 1,3967 3 3 0 -8,0659 0,473401066757838 BBB+ HIA+ Caco2+
DB04685 mol2, pdbqt 351,32 -4,681 472,515 3,5186 6 1 0 -1,87 0,321125726239395 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4161 to 4180 of 6870
These data are only available for scientific research purposes.