• Drug Bank
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 of 344
Records 961 to 980 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
DB01119 mol2, pdbqt 66,91 -2,7 230,675 1,415 4 1 0 1,6127 0,846913631790791 BBB+ HIA+ Caco2-
DB01120 mol2, pdbqt 86,89 -3,068 323,416 1,1331 6 2 0 -0,79349 0,34519691709983 BBB+ HIA+ Caco2-
DB01121 mol2, pdbqt 72,19 -2,131 178,19 0,5307 4 2 0 2,1353 0,348307420328506 BBB+ HIA+ Caco2-
DB01122 mol2, pdbqt 64,68 -3,552 537,573 1,429 6 2 1 6,9585 0,371755550528008 BBB+ HIA- Caco2+
DB01123 mol2, pdbqt 64,93 -3,975 209,251 1,9379 3 2 0 -1,9084 0,169916909973528 BBB+ HIA+ Caco2+
DB01124 mol2, pdbqt 83,65 -2,814 270,352 2,2297 5 2 0 -1,1933 0,119012816501554 BBB+ HIA+ Caco2-
DB01125 mol2, pdbqt 43,37 -4,051 252,268 3,0472 3 0 0 0,12022 0,361404143036324 BBB+ HIA+ Caco2+
DB01126 mol2, pdbqt 58,2 -6,709 528,535 5,4195 4 2 2 -4,7571 0,14368488613893 BBB+ HIA+ Caco2-
DB01127 mol2, pdbqt 27,05 -4,345 381,689 4,2444 3 0 0 4,7237 0,626000746873784 BBB+ HIA+ Caco2+
DB01128 mol2, pdbqt 115,64 -5,084 430,377 2,1426 6 2 0 -11,827 0,244249430999476 BBB+ HIA+ Caco2-
DB01129 mol2, pdbqt 96,31 -2,55 359,449 2,18 6 1 0 -2,2766 0,470227911038994 BBB+ HIA+ Caco2+
DB01130 mol2, pdbqt 116,2 -4,663 488,575 3,1745 8 1 0 2,4959 0,326210351284385 BBB+ HIA+ Caco2-
DB01131 mol2, pdbqt 88,79 -4,292 253,736 1,7994 5 3 0 0,10418 0,609172016135896 BBB+ HIA+ Caco2+
DB01132 mol2, pdbqt 93,59 -3,835 356,445 3,0808 5 1 0 3,9631 0,755155308288924 BBB+ HIA+ Caco2-
DB01133 mol2, pdbqt 159,98 -2,444 318,609 -4,5017 6 4 0 -11,721 0,457431801850082 BBB+ HIA- Caco2-
DB01134 mol2, pdbqt 313,83 -5,052 414,584 4,8154 4 0 0 1,9444 0,224463977807603 BBB+ HIA+ Caco2+
DB01135 mol2, pdbqt 169,84 -5,558 1035,23 5,0862 18 0 3 2,5958 0,24372613278282 BBB+ HIA- Caco2+
DB01136 mol2, pdbqt 75,74 -4,584 406,48 3,1668 6 3 0 3,4008 0,643862188070713 BBB- HIA+ Caco2-
DB01137 mol2, pdbqt 73,32 -2,736 361,372 -0,3426 7 1 0 5,7723 0,873585826157986 BBB- HIA+ Caco2+
DB01138 mol2, pdbqt 76,9 -3,091 404,489 2,9731 5 0 0 2,7826 0,270786779794865 BBB+ HIA+ Caco2-
Page 
 of 344
Records 961 to 980 of 6870
These data are only available for scientific research purposes.