• Drug Bank
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 of 344
Records 4661 to 4680 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
DB06981 mol2, pdbqt 173,81 -3,027 217,267 2,5185 3 2 0 -1,7794 0,50813754892699 BBB+ HIA+ Caco2-
DB06982 mol2, pdbqt 302,99 -4,706 374,479 4,3148 6 3 0 -58,849 0,297648788616893 BBB+ HIA+ Caco2-
DB06983 mol2, pdbqt 259,64 -4,213 331,378 1,1308 6 2 0 3,8887 0,778336148696599 BBB+ HIA+ Caco2-
DB06984 mol2, pdbqt 196,28 -1,9 269,364 -0,1217 4 4 0 1,7883 0,878894878979152 BBB- HIA+ Caco2-
DB06985 mol2, pdbqt 280,13 -4,755 392,376 4,5696 5 2 0 -3,2417 0,290093404302349 BBB+ HIA+ Caco2-
DB06986 mol2, pdbqt 229,37 -4,702 332,81 2,9731 4 3 0 3,3363 0,685266689626649 BBB+ HIA+ Caco2-
DB06987 mol2, pdbqt 218,14 -2,022 266,34 0,3065 5 3 0 7,2414 0,943283004310618 BBB- HIA+ Caco2-
DB06988 mol2, pdbqt 243,12 -2,378 314,34 -1,1796 6 4 0 -10,163 0,459114584365442 BBB- HIA- Caco2-
DB06989 mol2, pdbqt 297,36 -2,654 407,442 0,8612 8 2 0 -8,9145 0,415693762806355 BBB+ HIA+ Caco2-
DB06990 mol2, pdbqt 264,03 -3,543 346,298 1,0517 10 3 0 -0,58866 0,567024204950895 BBB+ HIA- Caco2-
DB06991 mol2, pdbqt 272,9 -4,328 346,454 3,1643 6 3 0 4,899 0,718243799384787 BBB+ HIA+ Caco2-
DB06992 mol2, pdbqt 254,91 -4,217 326,414 4,3467 3 0 0 0,43626 0,530572388126891 BBB+ HIA+ Caco2+
DB06993 mol2, pdbqt 313,35 -3,787 458,528 0,0515 8 3 0 2,5096 0,688604017765273 BBB- HIA+ Caco2-
DB06994 mol2, pdbqt 321,1 -6,851 453,965 3,979 6 1 0 -0,77252 0,264958381355666 BBB+ HIA+ Caco2-
DB06995 mol2, pdbqt 294,94 -6,285 398,368 2,8613 7 3 0 0,57654 0,418754948820968 BBB+ HIA+ Caco2-
DB06996 mol2, pdbqt 285,19 -1,859 359,472 -0,0175 7 4 0 -3,24 0,466854393387631 BBB- HIA+ Caco2-
DB06997 mol2, pdbqt 310,59 -7,054 422,39 3,5095 7 3 0 0,71151 0,362698139584526 BBB+ HIA+ Caco2-
DB06998 mol2, pdbqt 281,76 -4,104 499,199 1,9687 6 2 0 -3,7946 0,320672674145772 BBB- HIA- Caco2-
DB06999 mol2, pdbqt 281,64 -7,244 413,831 2,9187 6 2 0 -2,0953 0,149678925215508 BBB+ HIA+ Caco2-
DB07000 mol2, pdbqt 310,98 -7,529 442,445 2,5166 7 2 0 1,6878 0,396502828719327 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4661 to 4680 of 6870
These data are only available for scientific research purposes.