• Drug Bank
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Records 1641 to 1660 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
DB01940 mol2, pdbqt 358,19 -5,129 474,511 3,2035 8 4 0 2,3241 0,513186988061712 BBB- HIA- Caco2-
DB01941 mol2, pdbqt 276,45 -4,967 363,499 4,6988 3 1 0 -4,3125 0,276335977504522 BBB+ HIA+ Caco2+
DB01942 mol2, pdbqt 39,39 -0,628 46,0249 -0,6699 2 1 0 -2,125 0,11831916201559 BBB+ HIA+ Caco2+
DB01944 mol2, pdbqt 213,58 -3,822 292,337 2,038 4 1 0 3,9866 0,656139266726573 BBB+ HIA+ Caco2+
DB01945 mol2, pdbqt 214,45 0,751 338,188 -7,418 12 5 1 -18,921 0,467892288258944 BBB+ HIA- Caco2-
DB01946 mol2, pdbqt 299,06 -2,725 398,465 1,2354 6 2 0 4,0588 0,827949618845359 BBB+ HIA+ Caco2-
DB01947 mol2, pdbqt 139,27 -0,534 202,102 -1,9978 5 2 0 -22,911 0,235276664432422 BBB+ HIA+ Caco2-
DB01948 mol2, pdbqt 343,89 -9,201 487,376 7,1878 3 1 1 -0,019903 0,128413265828356 BBB+ HIA+ Caco2-
DB01949 mol2, pdbqt 123,18 -1,005 144,217 -0,0721 3 2 0 -15,782 0,490530434440383 BBB+ HIA+ Caco2-
DB01950 mol2, pdbqt 228,08 -3,821 308,317 1,3337 8 2 0 -3,3513 0,154771917624262 BBB+ HIA+ Caco2-
DB01951 mol2, pdbqt 288,08 -2,465 360,452 2,5844 6 0 0 -4,3989 0,430613463315193 BBB+ HIA+ Caco2-
DB01952 mol2, pdbqt 118,96 -3,744 159,152 -0,0777 5 1 0 2,2975 0,838973335447581 BBB+ HIA+ Caco2-
DB01953 mol2, pdbqt 183,47 -2,984 222,29 2,8995 2 1 0 -1,0687 0,549080102641191 BBB+ HIA+ Caco2-
DB01955 mol2, pdbqt 81,24 -0,51 90,1214 0,0326 2 2 0 -7,8491 0,106682814925442 BBB+ HIA+ Caco2+
DB01956 mol2, pdbqt 88,77 0,223 125,148 -4,3744 4 2 0 -7,4541 0,178625232852036 BBB+ HIA+ Caco2-
DB01957 mol2, pdbqt 95,03 -2,056 128,558 1,9199 1 1 0 -2,05 0,528120371869787 BBB+ HIA+ Caco2+
DB01958 mol2, pdbqt 246,86 -6,007 324,451 4,1826 4 2 0 -4,2885 0,257241005025502 BBB+ HIA+ Caco2+
DB01959 mol2, pdbqt 222,94 -2,988 289,29 1,0219 7 0 0 -5,0098 0,451943536485131 BBB+ HIA+ Caco2+
DB01960 mol2, pdbqt 276,68 1,602 459,244 -8,8762 16 8 2 -27,487 0,404697234375035 BBB+ HIA- Caco2-
DB01961 mol2, pdbqt 205,86 1,745 323,197 -5,7562 11 6 2 -18,814 0,472963938171612 BBB+ HIA- Caco2-
Page 
 of 344
Records 1641 to 1660 of 6870
These data are only available for scientific research purposes.