• Drug Bank
Page 
 of 344
Records 1 to 20 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB00006 mol2, pdbqt 901,57 -5,228 2180,31 -11,245 57 28 3 -7,0493 0,180562152451813 BBB- HIA+ Caco2-
DB00014 mol2, pdbqt 495,89 -6,432 1269,43 -4,3218 32 17 3 -1,4466 0,17751484356634 BBB- HIA+ Caco2-
DB00035 mol2, pdbqt 486,01 -4,097 1069,23 -4,4827 26 14 3 10,056 0,428327533759594 BBB- HIA+ Caco2-
DB00050 mol2, pdbqt 495,67 -8,313 1431,06 -0,8875 31 17 3 1,0128 0,224000948230682 BBB- HIA+ Caco2-
DB00080 mol2, pdbqt 702,02 -6,255 1620,69 -9,499 43 22 3 -17,937 0,152729658839434 BBB- HIA+ Caco2-
DB00091 mol2, pdbqt 278,8 -4,026 1202,63 2,9037 23 5 2 6,7856 0,407723448952228 BBB- HIA+ Caco2-
DB00093 mol2, pdbqt 455,92 -4,699 1040,23 -4,4889 24 12 3 5,1105 0,393075900550521 BBB- HIA+ Caco2-
DB00104 mol2, pdbqt 382,82 -6,34 1019,26 -1,1103 20 13 3 -2,2022 0,16610686511802 BBB- HIA+ Caco2-
DB00115 mol2, pdbqt 476,87 -8,956 1356,39 -1,8027 28 10 3 -30,202 0,127281241984075 BBB- HIA- Caco2-
DB00116 mol2, pdbqt 207,27 -3,987 445,435 -4,2143 13 8 2 -7,7453 0,359446364156558 BBB- HIA- Caco2-
DB00117 mol2, pdbqt 92 -0,38 155,156 -3,5054 5 3 0 -8,9499 0,493668530767057 BBB+ HIA+ Caco2-
DB00118 mol2, pdbqt 182,63 -3,83 399,451 -4,0619 11 5 1 -10,574 0,390015905838727 BBB- HIA+ Caco2-
DB00119 mol2, pdbqt 54,37 -0,381 88,0618 -0,8977 3 1 0 -4,84 0,499002262199986 BBB+ HIA+ Caco2-
DB00120 mol2, pdbqt 63,32 -1,541 165,191 -1,5492 3 2 0 -11,045 0,487682014444123 BBB+ HIA+ Caco2+
DB00121 mol2, pdbqt 103,73 -2,436 244,314 0,605 5 3 0 -13,535 0,468542707098367 BBB+ HIA+ Caco2-
DB00122 mol2, pdbqt 23,47 0,665 104,172 -1,644 2 1 0 -0,95156 0,635031566653286 BBB+ HIA- Caco2+
DB00123 mol2, pdbqt 89,34 -0,785 146,189 -4,6792 4 3 0 -18,213 0,492840235102126 BBB+ HIA+ Caco2-
DB00125 mol2, pdbqt 125,22 -0,156 174,203 -3,4377 6 5 0 -10,428 0,493113125505709 BBB+ HIA+ Caco2-
DB00126 mol2, pdbqt 107,22 -0,349 176,124 -2,4646 6 4 0 0,023806 0,741667756659179 BBB+ HIA+ Caco2-
DB00127 mol2, pdbqt 76,1 -0,772 202,344 -0,9876 4 4 0 -5,3518 0,294789774982971 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1 to 20 of 6870
These data are only available for scientific research purposes.