• Drug Bank
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Records 1001 to 1020 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
DB01160 mol2, pdbqt 97,99 -3,532 354,485 3,6491 5 4 0 -15,443 0,37637863969384 BBB+ HIA+ Caco2+
DB01161 mol2, pdbqt 55,56 -2,592 270,759 2,0137 4 1 0 7,9573 0,196006772592534 BBB+ HIA+ Caco2+
DB01162 mol2, pdbqt 103,04 -3,293 387,439 1,0455 9 1 0 5,3211 0,818462535794962 BBB+ HIA+ Caco2+
DB01165 mol2, pdbqt 73,32 -2,736 361,372 -0,3426 7 1 0 5,7723 0,873585826157986 BBB- HIA+ Caco2+
DB01166 mol2, pdbqt 81,93 -3,701 369,467 3,3233 7 1 0 -6,8717 0,376125011330098 BBB+ HIA+ Caco2-
DB01167 mol2, pdbqt 100,79 -7,305 705,645 5,1512 12 0 3 7,616 7,73610696680844E-02 BBB- HIA+ Caco2+
DB01168 mol2, pdbqt 53,16 -2,412 221,303 0,2391 4 3 0 3,8585 0,20191992971849 BBB+ HIA+ Caco2+
DB01169 mol2, pdbqt 43,37 -1,962 197,841 0,6634 3 0 0 -1,8942 0,166431479242638 BBB+ HIA+ Caco2-
DB01170 mol2, pdbqt 67,64 -1,773 198,313 0,6142 4 2 0 -1,0357 0,291419033847844 BBB+ HIA+ Caco2-
DB01171 mol2, pdbqt 41,57 -1,847 268,743 1,3732 4 1 0 3,7552 0,927726643389932 BBB+ HIA+ Caco2-
DB01172 mol2, pdbqt 282,61 0,141 484,501 -7,4739 15 11 2 2,6543 0,745596602282144 BBB- HIA- Caco2-
DB01173 mol2, pdbqt 12,47 -2,655 269,387 3,2497 2 0 0 4,6084 0,855086498450232 BBB+ HIA+ Caco2+
DB01174 mol2, pdbqt 75,27 -2,802 232,238 0,6309 5 2 0 6,4065 0,199816457845748 BBB+ HIA+ Caco2-
DB01175 mol2, pdbqt 36,26 -3,975 324,398 2,7864 3 0 0 -3,3305 0,403721050130488 BBB+ HIA+ Caco2+
DB01176 mol2, pdbqt 6,48 -1,959 266,387 3,0767 2 0 0 7,7097 0,533138081176517 BBB+ HIA+ Caco2+
DB01177 mol2, pdbqt 176,61 -4,996 497,498 1,164 10 5 0 6,0716 0,20126605059615 BBB- HIA+ Caco2-
DB01178 mol2, pdbqt 62,83 -2,05 273,739 1,1128 4 0 0 0,73005 0,783285667793065 BBB+ HIA+ Caco2-
DB01179 mol2, pdbqt 92,68 -3,843 414,409 1,7928 8 1 0 0,17227 0,346921788183055 BBB- HIA+ Caco2+
DB01180 mol2, pdbqt 117,78 -4,816 634,723 3,9046 11 1 2 0,21574 0,183671089535737 BBB+ HIA+ Caco2+
DB01181 mol2, pdbqt 51,38 -1,895 261,088 1,0573 4 1 0 -10,781 0,101863566982303 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1001 to 1020 of 6870
These data are only available for scientific research purposes.