• Drug Bank
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Records 2201 to 2220 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
DB02545 mol2, pdbqt 403,72 -7,216 496,649 6,1727 5 0 1 -3,8445 2,82622736348535E-02 BBB+ HIA+ Caco2+
DB02546 mol2, pdbqt 78,43 -3,328 264,324 2,299 5 3 0 -7,6209 0,433740106027966 BBB+ HIA+ Caco2-
DB02547 mol2, pdbqt 361,93 -0,041 589,342 -8,6359 20 9 3 -26,776 0,312657036491983 BBB+ HIA- Caco2-
DB02548 mol2, pdbqt 169,24 2,126 262,15 -6,3896 9 7 1 -21,791 0,486185744330313 BBB+ HIA- Caco2-
DB02549 mol2, pdbqt 282,46 1,068 444,225 -6,5614 14 4 1 -25,878 0,414854812567777 BBB+ HIA- Caco2-
DB02550 mol2, pdbqt 329,02 -5,171 433,87 3,1432 8 1 0 -2,8464 0,181543569190682 BBB+ HIA+ Caco2+
DB02551 mol2, pdbqt 289,66 -4,866 372,471 3,289 5 4 0 2,1305 0,610818340839857 BBB+ HIA+ Caco2-
DB02552 mol2, pdbqt 227,57 0,767 314,21 -2,2162 7 3 0 -31,683 0,28488008903962 BBB+ HIA- Caco2-
DB02553 mol2, pdbqt 682,32 -2,282 867,104 -14,765 22 14 3 -10,803 0,245188085112651 BBB+ HIA- Caco2-
DB02554 mol2, pdbqt 373,81 2,143 630,365 -10,537 21 9 3 -36,724 0,293138939441133 BBB- HIA- Caco2-
DB02555 mol2, pdbqt 517,42 -7,017 685,654 3,735 12 4 2 9,0128 9,82007409220356E-02 BBB+ HIA+ Caco2-
DB02556 mol2, pdbqt 132,14 -1,541 165,191 -1,5492 3 2 0 -11,045 0,487682014444123 BBB+ HIA+ Caco2+
DB02557 mol2, pdbqt 382,28 -2,345 543,508 -1,8698 13 8 3 -18,045 0,331651066572114 BBB- HIA- Caco2-
DB02558 mol2, pdbqt 308,68 -3,872 400,498 1,8099 6 3 0 -3,1725 0,395460890243421 BBB+ HIA+ Caco2-
DB02559 mol2, pdbqt 234,86 -2,28 307,484 1,4104 5 4 0 -1,1847 0,563367301528978 BBB+ HIA+ Caco2-
DB02560 mol2, pdbqt 251,49 0,709 345,566 -1,3709 8 5 0 -20,512 0,371966563507926 BBB+ HIA- Caco2-
DB02561 mol2, pdbqt 117,18 0,382 180,155 -2,6812 6 5 0 -4,8649 0,497260834811462 BBB+ HIA- Caco2-
DB02562 mol2, pdbqt 169,36 -1,18 239,234 -3,4076 8 4 0 3,2404 0,950186662036363 BBB+ HIA+ Caco2-
DB02563 mol2, pdbqt 588,72 -0,063 865,682 -8,3763 24 9 3 -54,68 0,151299576763226 BBB- HIA+ Caco2-
DB02565 mol2, pdbqt 255,52 -3,157 307,392 3,0182 6 3 0 -3,9915 0,153164954877064 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2201 to 2220 of 6870
These data are only available for scientific research purposes.