• Drug Bank
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Records 3141 to 3160 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
DB03558 mol2, pdbqt 350,79 -1,568 499,496 -1,1558 13 5 1 -5,8947 0,370124100094528 BBB- HIA+ Caco2-
DB03559 mol2, pdbqt 112,3 -2,194 127,186 0,8395 2 1 0 -5,1675 0,482017625511668 BBB+ HIA+ Caco2+
DB03560 mol2, pdbqt 99,15 -1,644 122,123 1,2472 2 1 0 -4,1407 0,176736187412762 BBB+ HIA+ Caco2+
DB03562 mol2, pdbqt 159,11 -0,83 230,219 -1,5172 7 3 0 2,6879 0,941941803819124 BBB+ HIA+ Caco2-
DB03564 mol2, pdbqt 99,65 -1,105 118,175 0,6774 2 2 0 -5,8675 0,39253178682802 BBB+ HIA+ Caco2+
DB03565 mol2, pdbqt 393,2 -2,29 489,524 -1,143 9 3 0 -66,503 0,370506987052055 BBB+ HIA+ Caco2-
DB03566 mol2, pdbqt 138,32 -0,717 145,249 -0,8753 3 3 0 -5,5 0,296665586980538 BBB+ HIA+ Caco2+
DB03567 mol2, pdbqt 153,13 -0,023 221,208 -2,6104 7 5 0 -3,6518 0,502068663817056 BBB- HIA- Caco2-
DB03568 mol2, pdbqt 77,38 -0,999 88,1055 0,6097 2 1 0 -3,94 0,180032881569563 BBB+ HIA+ Caco2+
DB03569 mol2, pdbqt 119,92 -0,163 192,123 -2,5412 7 5 0 -0,44759 0,683655937175959 BBB+ HIA+ Caco2-
DB03570 mol2, pdbqt 103,14 -0,508 122,143 -2,6266 4 3 0 1,2177 0,113533873402566 BBB+ HIA- Caco2+
DB03571 mol2, pdbqt 300,3 -5,754 430,254 2,8224 9 3 0 3,8073 0,315583496012262 BBB+ HIA+ Caco2-
DB03572 mol2, pdbqt 241,98 -2,631 309,368 2,0013 5 2 0 -0,83283 0,348472611678836 BBB+ HIA+ Caco2-
DB03573 mol2, pdbqt 292,95 -2,617 364,44 1,138 7 4 0 4,6271 0,865824182253161 BBB- HIA+ Caco2-
DB03574 mol2, pdbqt 527,41 -0,29 770,552 -5,9749 22 7 3 6,2789 0,330189935563881 BBB- HIA- Caco2-
DB03576 mol2, pdbqt 243,79 0,903 350,263 -6,243 10 6 1 -17,048 0,463805539064685 BBB- HIA- Caco2-
DB03577 mol2, pdbqt 207,21 -1,696 277,259 -2,1167 4 3 0 -10,324 0,475102462117321 BBB+ HIA- Caco2-
DB03578 mol2, pdbqt 69,78 -0,457 87,0777 -1,2955 3 1 0 -5,4218 0,497349645880307 BBB+ HIA+ Caco2-
DB03581 mol2, pdbqt 168,67 1,911 260,134 -6,6019 9 6 1 -24,654 0,486447428563816 BBB+ HIA- Caco2-
DB03582 mol2, pdbqt 180,73 -0,728 232,235 -3,3661 7 4 0 -9,9503 0,48692449260908 BBB+ HIA- Caco2-
Page 
 of 344
Records 3141 to 3160 of 6870
These data are only available for scientific research purposes.