• Drug Bank
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 of 344
Records 2361 to 2380 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
DB02716 mol2, pdbqt 323,39 2,902 538,215 -10,252 19 9 3 -27,743 0,346766484564675 BBB+ HIA- Caco2-
DB02717 mol2, pdbqt 423,44 1,151 666,576 -8,1321 21 14 3 -11,5 0,279534286198436 BBB+ HIA- Caco2-
DB02719 mol2, pdbqt 142,58 1,349 223,18 -4,0318 8 7 1 -2,6252 0,314389554795331 BBB+ HIA- Caco2-
DB02720 mol2, pdbqt 138,32 1,032 207,181 -3,6209 7 6 1 -3,12 0,512947517658527 BBB+ HIA- Caco2-
DB02721 mol2, pdbqt 87,87 -1,205 193,971 -0,0097 2 1 0 2,9879 0,950158998062908 BBB+ HIA+ Caco2+
DB02722 mol2, pdbqt 137,91 0,141 208,165 -2,5425 7 4 0 -1,9827 0,550564254942977 BBB- HIA- Caco2-
DB02723 mol2, pdbqt 352,14 -3,409 492,599 0,7626 11 3 1 1,4092 0,623814918851162 BBB+ HIA+ Caco2-
DB02724 mol2, pdbqt 698,48 -1,177 1045,84 -9,313 30 11 3 -2,132 0,17532096652703 BBB- HIA- Caco2-
DB02725 mol2, pdbqt 159,16 -1,493 196,249 -4,2657 4 3 0 -16,971 0,486427183938397 BBB+ HIA+ Caco2-
DB02726 mol2, pdbqt 97,83 1,628 156,03 -4,4696 6 3 0 -19,825 0,495686953174206 BBB+ HIA- Caco2-
DB02727 mol2, pdbqt 116,62 -0,933 131,178 -0,1684 4 4 0 -0,17907 0,715253095465877 BBB+ HIA+ Caco2-
DB02728 mol2, pdbqt 172,34 -2,101 234,206 1,1498 5 1 0 -15,4 0,472345273154514 BBB+ HIA+ Caco2+
DB02729 mol2, pdbqt 619,15 -8,892 824,939 7,0949 13 6 4 4,2529 0,143269891867936 BBB+ HIA+ Caco2-
DB02730 mol2, pdbqt 141,41 -0,449 210,249 -1,5638 5 4 0 -1,4018 0,586297998851152 BBB- HIA- Caco2-
DB02731 mol2, pdbqt 140,87 -4,531 382,832 2,0955 2 1 0 -1,5855 0,169932887926018 BBB+ HIA+ Caco2+
DB02732 mol2, pdbqt 469,62 -0,542 720,5 -7,3029 22 9 3 -31,098 0,159019179507973 BBB+ HIA- Caco2-
DB02733 mol2, pdbqt 322,19 -5,035 432,911 2,8449 9 4 0 2,4467 0,573897177598997 BBB- HIA+ Caco2-
DB02734 mol2, pdbqt 115,36 -0,232 176,124 -2,0414 6 4 0 -0,25235 0,708092221414303 BBB+ HIA+ Caco2-
DB02735 mol2, pdbqt 122,4 1,433 201,155 -6,2403 8 4 0 -6,2279 0,493832156425775 BBB+ HIA- Caco2-
DB02736 mol2, pdbqt 52,03 -0,535 59,0677 -0,6969 2 1 0 -1,3108 0,129646148477763 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2361 to 2380 of 6870
These data are only available for scientific research purposes.