• Drug Bank
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Records 3581 to 3600 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
DB04037 mol2, pdbqt 247,29 -5,178 334,209 3,5971 5 1 0 -0,70265 0,41036904631827 BBB+ HIA+ Caco2+
DB04038 mol2, pdbqt 319,97 -5,907 396,656 7,0441 1 1 1 -1,1756 0,196838366785733 BBB+ HIA+ Caco2+
DB04039 mol2, pdbqt 232,73 -3,621 256,384 4,5551 3 1 0 -27,688 0,352655781718077 BBB+ HIA+ Caco2+
DB04040 mol2, pdbqt 398,11 -0,793 556,567 -4,5479 15 5 2 -6,8762 0,332010903961856 BBB- HIA- Caco2-
DB04041 mol2, pdbqt 434,92 -4,548 620,595 -6,679 16 4 2 -6,0891 0,123025260855628 BBB- HIA- Caco2-
DB04042 mol2, pdbqt 487,18 -4,309 664,774 3,4127 11 4 2 -0,55039 0,291965444733155 BBB- HIA+ Caco2-
DB04043 mol2, pdbqt 552,26 -4,149 787,642 -1,0945 17 4 2 -13,297 0,105063124419784 BBB- HIA+ Caco2-
DB04044 mol2, pdbqt 303,86 -5,911 422,348 2,2513 10 3 0 -4,4953 0,130031038329409 BBB+ HIA+ Caco2-
DB04045 mol2, pdbqt 570,5 0,984 867,611 -10,452 26 10 3 -33,363 0,252680510279737 BBB- HIA- Caco2-
DB04046 mol2, pdbqt 133,92 0,123 194,182 -2,1929 6 4 0 -7,2849 0,492478021989471 BBB- HIA- Caco2-
DB04047 mol2, pdbqt 218,33 1,491 353,123 -7,5705 13 5 1 -27,223 0,463029624590768 BBB+ HIA- Caco2-
DB04048 mol2, pdbqt 100,09 -0,867 132,119 -1,4786 5 3 0 -1,9868 0,552130225036064 BBB+ HIA+ Caco2-
DB04049 mol2, pdbqt 319,49 -4,949 411,46 4,0835 6 3 0 0,95845 0,486761760229191 BBB+ HIA+ Caco2-
DB04050 mol2, pdbqt 75,75 -0,853 70,1145 0,5798 1 0 0 -0,58225 0,320640214619052 BBB+ HIA+ Caco2+
DB04051 mol2, pdbqt 152,4 -2,404 178,23 2,506 2 1 0 -11,475 0,45946380525273 BBB+ HIA+ Caco2+
DB04052 mol2, pdbqt 104,13 -2,008 122,166 2,0017 1 1 0 -2,315 0,309918506311844 BBB+ HIA+ Caco2+
DB04053 mol2, pdbqt 26,14 0,056 63,9799 -1,8166 2 1 0 -7,0175 0,497266064284858 BBB+ HIA+ Caco2-
DB04054 mol2, pdbqt 279,79 -4,093 359,404 2,9863 7 1 0 -0,85083 0,482586269130451 BBB+ HIA+ Caco2+
DB04057 mol2, pdbqt 558,92 -0,886 815,644 -6,0388 24 12 3 -28,804 0,253479883899175 BBB- HIA- Caco2-
DB04058 mol2, pdbqt 161,35 -2,002 208,216 -0,0367 5 3 0 -8,8243 0,479495328700222 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3581 to 3600 of 6870
These data are only available for scientific research purposes.