• Drug Bank
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 of 344
Records 1961 to 1980 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
DB02283 mol2, pdbqt 147,17 -1,2 201,245 -0,5874 4 2 0 -10,916 0,486955663742754 BBB+ HIA+ Caco2-
DB02285 mol2, pdbqt 435,19 -6,473 562,668 5,1545 8 4 2 -2,0517 0,159391729265031 BBB+ HIA- Caco2-
DB02286 mol2, pdbqt 164,83 -2,142 219,243 -2,1871 5 4 0 -10,243 0,286905455710307 BBB+ HIA+ Caco2-
DB02287 mol2, pdbqt 190,8 -2,945 253,284 1,2448 5 4 0 0,11579 0,695265357137131 BBB+ HIA+ Caco2-
DB02288 mol2, pdbqt 222,87 -4,123 345,199 0,7359 5 3 0 -1,7 0,456017761982077 BBB+ HIA+ Caco2-
DB02289 mol2, pdbqt 82,72 0,119 119,076 -4,2674 5 3 0 -9,5743 0,49597186064012 BBB+ HIA- Caco2-
DB02290 mol2, pdbqt 286,5 -0,124 440,301 -5,7876 15 8 2 -14,392 0,416366827374074 BBB- HIA- Caco2-
DB02293 mol2, pdbqt 745,4 -6,596 885,189 6,5893 11 2 3 -38,165 5,17459498453815E-02 BBB+ HIA- Caco2-
DB02294 mol2, pdbqt 134,4 1,113 202,169 -2,4729 8 4 0 0,85353 0,837886231230051 BBB- HIA+ Caco2-
DB02295 mol2, pdbqt 422,15 -3,009 542,663 1,6476 12 4 2 7,8193 0,635021922941505 BBB- HIA+ Caco2-
DB02296 mol2, pdbqt 84,39 -1,177 88,1493 1,1776 1 1 0 -6,0073 0,105585020148754 BBB+ HIA+ Caco2+
DB02297 mol2, pdbqt 94,72 -1,126 129,55 0,0353 3 1 0 -1,735 0,563862617879144 BBB+ HIA+ Caco2+
DB02298 mol2, pdbqt 116,89 -0,957 160,172 -3,2081 5 4 0 3,0168 0,960047439908131 BBB+ HIA+ Caco2-
DB02299 mol2, pdbqt 142,03 -0,232 174,227 -2,6911 6 5 0 -0,88163 0,637223463715088 BBB+ HIA+ Caco2-
DB02300 mol2, pdbqt 60,69 -5,055 412,612 5,1955 3 3 1 -2,9563 0,246240679193741 BBB+ HIA+ Caco2+
DB02301 mol2, pdbqt 319,19 -4,555 455,43 -2,383 13 5 1 -6,1943 0,328614448735333 BBB+ HIA+ Caco2-
DB02302 mol2, pdbqt 170,31 -0,948 202,257 -3,3671 6 4 0 -10,394 0,488917089012421 BBB+ HIA+ Caco2-
DB02303 mol2, pdbqt 111,18 -1,206 239,996 -0,2925 4 2 0 2,1535 0,915444972168071 BBB+ HIA+ Caco2-
DB02304 mol2, pdbqt 286,48 -3,682 334,454 4,7113 4 2 0 -14,504 0,198144836611825 BBB+ HIA+ Caco2+
DB02305 mol2, pdbqt 115,36 -0,232 176,124 -2,0414 6 4 0 -0,25235 0,708092221414303 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1961 to 1980 of 6870
These data are only available for scientific research purposes.