• Drug Bank
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Records 6401 to 6420 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
DB08810 mol2, pdbqt 113,41 -4,06 402,493 0,8854 8 2 0 -3,4601 0,232372858244574 BBB+ HIA+ Caco2-
DB08811 mol2, pdbqt 61,64 -5,633 382,458 5,8707 6 0 1 1,2111 0,208902736279189 BBB+ HIA+ Caco2+
DB08814 mol2, pdbqt 63,6 -2,707 248,156 1,9797 4 1 0 -8,8243 0,455225686607112 BBB+ HIA+ Caco2-
DB08815 mol2, pdbqt 84,99 -3,966 492,686 3,9243 6 0 0 2,6271 0,334580788928286 BBB+ HIA+ Caco2+
DB08816 mol2, pdbqt 163,74 -5,208 522,575 2,5244 10 4 1 -3,3159 0,258021107254026 BBB- HIA+ Caco2-
DB08818 mol2, pdbqt 399,71 0,639 776,648 -8,8105 25 14 3 -4,0425 0,262721448304064 BBB- HIA- Caco2-
DB08819 mol2, pdbqt 75,99 -5,055 452,536 5,3201 5 2 1 -19,332 0,216247059211612 BBB+ HIA+ Caco2+
DB08820 mol2, pdbqt 78,43 -5,822 392,497 4,5032 5 3 0 -0,12816 0,346525461488357 BBB+ HIA+ Caco2-
DB08822 mol2, pdbqt 139,57 -7,854 568,541 5,6085 12 1 3 -13,985 0,116335145664169 BBB+ HIA+ Caco2-
DB08823 mol2, pdbqt 111,22 -5,681 745,991 5,0796 11 0 3 1,4121 0,234043300349617 BBB- HIA+ Caco2+
DB08824 mol2, pdbqt 29,54 -4,262 431,284 3,5911 3 0 0 -1,1542 0,397178039874574 BBB+ HIA+ Caco2+
DB08826 mol2, pdbqt 40,54 -1,05 139,153 -0,0767 3 1 0 3,4574 0,579649089352754 BBB+ HIA+ Caco2+
DB08827 mol2, pdbqt 61,44 -9,194 693,73 8,518 5 2 2 0,005857 3,84151143316772E-02 BBB+ HIA+ Caco2-
DB08828 mol2, pdbqt 84,51 -6 421,303 3,7704 5 1 0 0,66842 0,401925703543597 BBB+ HIA+ Caco2+
DB08830 mol2, pdbqt 114,71 -0,019 174,108 -2,6064 6 2 0 -12,625 0,493282354220963 BBB+ HIA+ Caco2-
DB08831 mol2, pdbqt 123,46 -0,068 164,156 -2,3363 5 4 0 -2,1384 0,327447122350067 BBB- HIA+ Caco2-
DB08834 mol2, pdbqt 132,31 -4,395 499,71 2,0912 7 4 0 -5,295 0,302466676542275 BBB+ HIA+ Caco2-
DB08835 mol2, pdbqt 170,1 -0,509 304,254 -2,6025 10 5 0 -13,911 0,475443979085695 BBB+ HIA- Caco2-
DB08836 mol2, pdbqt 356,63 -3,302 476,616 1,3274 7 2 0 -2,895 0,376316085900553 BBB- HIA+ Caco2-
DB08837 mol2, pdbqt 134,63 -0,742 130,254 0,5016 1 0 0 -1,2863 0,597161141571611 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6401 to 6420 of 6870
These data are only available for scientific research purposes.