• Drug Bank
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Records 1801 to 1820 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
DB02110 mol2, pdbqt 410,56 -11,571 619,585 4,6915 8 2 1 -4,0377 0,071811203558875 BBB+ HIA+ Caco2-
DB02111 mol2, pdbqt 92,16 -0,955 129,071 -0,3428 5 2 0 1,7805 0,583945953714591 BBB+ HIA+ Caco2-
DB02112 mol2, pdbqt 375,52 -4,637 489,621 4,4777 6 3 0 4,4551 0,393917392178017 BBB+ HIA+ Caco2-
DB02113 mol2, pdbqt 105,97 -2,036 134,142 0,3768 4 1 0 -0,078187 0,205676901683961 BBB+ HIA+ Caco2-
DB02114 mol2, pdbqt 118,8 -2,563 135,209 2,1693 1 1 0 -2,1131 0,513641338398796 BBB+ HIA+ Caco2+
DB02115 mol2, pdbqt 286,49 -2,909 416,381 -0,0164 9 5 0 -3,6206 0,150627793980378 BBB- HIA+ Caco2-
DB02116 mol2, pdbqt 235,91 -3,363 298,349 1,0243 7 3 0 2,2784 0,832376912173483 BBB+ HIA+ Caco2-
DB02118 mol2, pdbqt 262,75 -3,965 372,444 0,9491 6 0 0 3,6759 0,775185867664191 BBB+ HIA+ Caco2-
DB02119 mol2, pdbqt 138,42 -2,43 195,181 -2,2648 7 4 0 3,4914 0,937927127193009 BBB+ HIA+ Caco2-
DB02120 mol2, pdbqt 122,39 -0,019 175,183 -2,5161 5 5 0 -0,49526 0,679962301510064 BBB- HIA+ Caco2-
DB02121 mol2, pdbqt 79,55 -1,075 87,1215 0,2119 2 1 0 -2,9561 0,51568743738145 BBB+ HIA+ Caco2+
DB02122 mol2, pdbqt 169,81 0,639 304,874 1,6994 4 3 0 -12,821 0,168744887065575 BBB+ HIA+ Caco2+
DB02123 mol2, pdbqt 334,47 -4,646 449,629 3,1152 6 4 0 -2,5574 0,327194890764874 BBB+ HIA+ Caco2-
DB02124 mol2, pdbqt 115,18 -0,571 155,152 -3,1637 4 3 0 1,6319 0,579525632800498 BBB- HIA+ Caco2-
DB02125 mol2, pdbqt 109,55 -2,614 150,22 1,8344 1 0 0 0,093088 0,709485176428815 BBB+ HIA+ Caco2+
DB02126 mol2, pdbqt 147,96 -2,012 192,17 0,959 4 2 0 0,1675 0,736847916777527 BBB+ HIA+ Caco2+
DB02127 mol2, pdbqt 143,57 -2,063 180,183 1,0352 3 0 0 -22,028 0,477782815926493 BBB+ HIA+ Caco2-
DB02128 mol2, pdbqt 378,08 -4,2 475,543 2,6419 8 3 0 1,3969 0,57276080842801 BBB- HIA+ Caco2-
DB02129 mol2, pdbqt 108,78 -0,881 158,113 -1,7253 6 3 0 -8,2906 0,491795782772341 BBB+ HIA- Caco2-
DB02130 mol2, pdbqt 125,97 -1,351 168,148 0,729 4 2 0 -1,597 0,340547301462744 BBB- HIA+ Caco2+
Page 
 of 344
Records 1801 to 1820 of 6870
These data are only available for scientific research purposes.