• Drug Bank
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Records 21 to 40 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
DB00128 mol2, pdbqt 100,62 -0,151 133,103 -3,813 5 3 0 -11,987 0,495010353470141 BBB- HIA- Caco2-
DB00129 mol2, pdbqt 89,34 -0,515 132,162 -5,1336 4 3 0 -14,031 0,494229177108052 BBB+ HIA+ Caco2-
DB00130 mol2, pdbqt 106,41 -0,497 146,145 -3,7564 5 3 0 -17,946 0,49371297875074 BBB+ HIA- Caco2-
DB00131 mol2, pdbqt 195,88 -0,745 347,223 -5,1538 12 5 1 -20,615 0,462272827322984 BBB+ HIA- Caco2-
DB00132 mol2, pdbqt 37,3 -4,095 278,434 6,2147 2 1 1 -20,741 0,254368850867524 BBB+ HIA+ Caco2+
DB00133 mol2, pdbqt 83,55 0,101 105,093 -3,9178 4 3 0 -10,074 0,496312662572931 BBB- HIA+ Caco2-
DB00134 mol2, pdbqt 88,62 -1,051 149,213 -2,3875 3 2 0 -13,321 0,491496672252524 BBB+ HIA+ Caco2-
DB00135 mol2, pdbqt 83,55 -1,245 181,19 -1,8949 4 3 0 -11,045 0,48877064551685 BBB- HIA+ Caco2-
DB00136 mol2, pdbqt 60,69 -5,146 416,643 5,9646 3 3 1 -5,1086 0,203261755032925 BBB+ HIA+ Caco2+
DB00138 mol2, pdbqt 177,24 -1,132 240,303 -5,5478 6 4 0 -6,7623 0,484934422144702 BBB- HIA+ Caco2-
DB00139 mol2, pdbqt 74,6 -0,474 118,088 -0,6666 4 2 0 -2,8683 0,187379935189754 BBB+ HIA+ Caco2-
DB00140 mol2, pdbqt 155,05 -2,427 376,368 -2,0663 10 5 0 6,1929 0,874119784848679 BBB- HIA+ Caco2-
DB00141 mol2, pdbqt 127,09 0,057 221,208 -3,3477 7 5 0 -2,8376 0,516979978763874 BBB+ HIA+ Caco2-
DB00142 mol2, pdbqt 100,62 -0,421 147,129 -3,3586 5 3 0 -18,651 0,493849850756486 BBB+ HIA- Caco2-
DB00143 mol2, pdbqt 197,62 -0,99 307,326 -4,8991 9 5 0 -23,224 0,47320446911557 BBB+ HIA- Caco2-
DB00144 mol2, pdbqt 181,49 -0,168 385,305 -4,4773 11 3 1 -39,27 0,268683527593233 BBB+ HIA- Caco2-
DB00145 mol2, pdbqt 63,32 -0,028 75,0667 -3,3504 3 2 0 -1,6721 0,345157131760071 BBB+ HIA+ Caco2-
DB00146 mol2, pdbqt 40,46 -5,545 400,644 6,8167 2 2 1 -5,354 0,172905519353142 BBB+ HIA+ Caco2+
DB00147 mol2, pdbqt 70,42 -1,101 167,163 0,0469 4 2 0 -3,9662 0,497926125753744 BBB+ HIA+ Caco2-
DB00149 mol2, pdbqt 63,32 -1,106 131,174 -1,864 3 2 0 -16,969 0,491827936805632 BBB+ HIA+ Caco2-
Page 
 of 344
Records 21 to 40 of 6870
These data are only available for scientific research purposes.