• Drug Bank
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Records 3681 to 3700 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
DB04144 mol2, pdbqt 418,72 -5,865 567,515 6,0311 7 1 2 3,9592 0,212098364005163 BBB+ HIA+ Caco2+
DB04145 mol2, pdbqt 92,13 -0,705 109,128 0,0614 2 1 0 -1,9045 0,55646230089411 BBB+ HIA+ Caco2+
DB04146 mol2, pdbqt 352,38 -5,42 567,378 3,6581 7 3 1 4,751 9,39250182833865E-02 BBB- HIA+ Caco2-
DB04147 mol2, pdbqt 213,81 -0,638 229,406 3,9291 2 0 0 -34,829 0,425333697543437 BBB+ HIA- Caco2+
DB04149 mol2, pdbqt 215,29 -3,41 275,347 2,6544 4 1 0 0,3508 0,672517418402204 BBB+ HIA+ Caco2+
DB04150 mol2, pdbqt 297,04 -3,619 576,116 0,3353 8 5 1 1,8021 0,535094770656979 BBB+ HIA- Caco2-
DB04151 mol2, pdbqt 132,36 -0,043 169,183 -3,3726 5 2 0 -7,7417 0,493795367756611 BBB+ HIA+ Caco2-
DB04152 mol2, pdbqt 173,5 -1,942 238,242 -2,608 6 3 0 -12,45 0,478536354197098 BBB+ HIA+ Caco2-
DB04153 mol2, pdbqt 246,28 -1,001 337,352 -5,2783 10 6 1 -18,57 0,464680963030047 BBB+ HIA- Caco2-
DB04154 mol2, pdbqt 266,88 -5,814 343,389 2,5183 6 0 0 4,555 0,583642494696587 BBB+ HIA+ Caco2+
DB04155 mol2, pdbqt 219,82 -0,031 344,287 -3,7568 10 7 1 -6,1878 0,465879184135775 BBB+ HIA- Caco2-
DB04156 mol2, pdbqt 133,78 0,351 200,117 -4,0962 5 3 0 -10,59 0,49216192627417 BBB+ HIA- Caco2-
DB04157 mol2, pdbqt 120,99 -2,548 152,153 0,6932 4 2 0 -4,3733 0,230047050094183 BBB+ HIA+ Caco2+
DB04158 mol2, pdbqt 464,26 0,571 764,327 -12,474 27 11 3 -27,585 0,259565903600073 BBB+ HIA- Caco2-
DB04159 mol2, pdbqt 161,4 -1,518 220,227 -2,5799 5 4 0 -4,7983 0,488088729163745 BBB+ HIA+ Caco2-
DB04160 mol2, pdbqt 96,44 3,034 177,973 -7,497 7 4 0 -15,717 0,494782420202021 BBB+ HIA- Caco2-
DB04161 mol2, pdbqt 65,79 -0,805 73,0946 -0,2425 2 1 0 -0,51154 0,678503473670292 BBB+ HIA+ Caco2+
DB04162 mol2, pdbqt 209,03 -1,267 306,23 -3,3607 12 7 2 -2,8643 0,497569151843628 BBB+ HIA+ Caco2-
DB04163 mol2, pdbqt 199,67 -4,847 268,343 2,6007 4 2 0 -1,0921 0,447658277885015 BBB+ HIA+ Caco2+
DB04164 mol2, pdbqt 211,96 -0,549 315,277 -3,4163 9 6 1 -4,679 0,286194105495902 BBB- HIA- Caco2-
Page 
 of 344
Records 3681 to 3700 of 6870
These data are only available for scientific research purposes.