• Drug Bank
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 of 344
Records 2081 to 2100 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
DB02415 mol2, pdbqt 178,67 -1,621 206,349 1,51 2 1 0 -21,55 0,477544509656522 BBB+ HIA+ Caco2+
DB02416 mol2, pdbqt 205,65 -1,336 395,152 -2,1645 9 5 0 -0,1593 0,640983861997129 BBB+ HIA+ Caco2-
DB02417 mol2, pdbqt 135,5 -3,822 330,801 3,4895 1 1 0 -4,0621 0,230619817777382 BBB+ HIA+ Caco2+
DB02418 mol2, pdbqt 75,72 -0,726 90,1214 -0,1576 2 2 0 -2,704 0,524300538574248 BBB+ HIA+ Caco2-
DB02419 mol2, pdbqt 150,62 -0,948 185,222 0,612 4 0 0 -10,282 0,487190949023297 BBB+ HIA+ Caco2+
DB02420 mol2, pdbqt 148,85 -1,393 194,189 -2,6349 5 3 0 -2,5986 0,520872317011906 BBB+ HIA+ Caco2-
DB02421 mol2, pdbqt 345,23 1,874 566,301 -9,1636 19 9 3 -35,529 0,327571780696674 BBB+ HIA- Caco2-
DB02422 mol2, pdbqt 243,22 0,102 372,39 -3,0389 10 7 1 -4,2384 0,460558788130119 BBB- HIA- Caco2-
DB02423 mol2, pdbqt 105,95 7,381 194,04 -6,0843 6 3 0 -15,51 0,23702091741572 BBB+ HIA- Caco2-
DB02424 mol2, pdbqt 436,22 -3,097 560,642 3,0427 11 4 2 3,0566 0,568420958932357 BBB- HIA+ Caco2-
DB02425 mol2, pdbqt 340,97 -6,017 354,616 9,1687 2 0 1 -30,286 0,148668177394321 BBB+ HIA+ Caco2+
DB02426 mol2, pdbqt 506,61 -2,037 786,819 -2,1159 19 6 3 -7,1477 4,34622704890285E-02 BBB+ HIA+ Caco2-
DB02427 mol2, pdbqt 263,02 -4,456 339,398 1,9541 7 2 0 2,4989 0,718787811731214 BBB+ HIA+ Caco2+
DB02428 mol2, pdbqt 130,72 -2,359 173,171 1,5147 3 1 0 -1,5746 0,331472957687154 BBB+ HIA+ Caco2+
DB02429 mol2, pdbqt 219,44 -3,157 308,332 1,3813 5 2 0 3,2351 0,860977548225309 BBB+ HIA+ Caco2-
DB02430 mol2, pdbqt 259,94 2,131 422,275 -7,7017 14 9 2 -22,776 0,429233426377805 BBB+ HIA- Caco2-
DB02431 mol2, pdbqt 285,71 3,001 483,155 -11,253 17 7 2 -34,208 0,387525966098395 BBB+ HIA- Caco2-
DB02432 mol2, pdbqt 490,76 -5,749 661,681 2,5765 12 4 2 -8,9742 0,178332629877527 BBB- HIA- Caco2-
DB02433 mol2, pdbqt 262,38 3,176 415,224 -12,126 14 10 2 -30,618 0,433551186614368 BBB+ HIA- Caco2-
DB02434 mol2, pdbqt 134,58 -2,144 170,231 1,9182 2 1 0 -3,1282 0,491051504423668 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2081 to 2100 of 6870
These data are only available for scientific research purposes.