• Drug Bank
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Records 3281 to 3300 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
DB03718 mol2, pdbqt 201,56 1,01 325,169 -6,0948 12 5 1 -18,296 0,472094320601032 BBB+ HIA- Caco2-
DB03719 mol2, pdbqt 216,29 -2,599 308,297 -1,7292 10 4 0 2,4938 0,879378370576133 BBB+ HIA+ Caco2-
DB03720 mol2, pdbqt 83,09 -0,778 101,105 -1,9338 3 2 0 -4,6658 0,498699309879928 BBB- HIA+ Caco2-
DB03721 mol2, pdbqt 207,75 0,114 309,27 -3,9051 10 7 1 -0,7991 0,623045327663662 BBB- HIA- Caco2-
DB03722 mol2, pdbqt 128,75 -2,314 161,203 1,6397 2 1 0 1,3461 0,507823788323929 BBB+ HIA+ Caco2+
DB03723 mol2, pdbqt 342,65 0,908 548,329 -6,851 17 7 3 -24,793 0,339274558975865 BBB- HIA- Caco2-
DB03724 mol2, pdbqt 120,09 -0,548 158,224 -0,7861 3 2 0 -1,5995 0,575053145380213 BBB+ HIA+ Caco2-
DB03725 mol2, pdbqt 312,24 0,4 521,208 -9,7289 18 9 3 -36,518 0,358371736102501 BBB+ HIA- Caco2-
DB03726 mol2, pdbqt 212,77 -0,144 332,208 -4,8279 11 4 1 -20,648 0,281233556894698 BBB+ HIA- Caco2-
DB03727 mol2, pdbqt 489,35 -5,722 654,718 3,7528 12 6 3 0,69333 0,278785571326095 BBB+ HIA+ Caco2-
DB03728 mol2, pdbqt 112,78 -2,365 156,568 1,7507 2 1 0 -1,6821 0,117554711495961 BBB+ HIA+ Caco2+
DB03729 mol2, pdbqt 109,34 -1,442 149,153 -0,1934 4 4 0 0,85962 0,831056922544159 BBB+ HIA+ Caco2-
DB03730 mol2, pdbqt 129,03 -1,595 164,191 -0,0814 5 1 0 1,7634 0,901168554325328 BBB+ HIA+ Caco2+
DB03731 mol2, pdbqt 149,94 0,77 210,037 -2,3738 6 5 0 -17,235 0,235970423662621 BBB+ HIA- Caco2-
DB03732 mol2, pdbqt 401,22 0,18 663,318 -11,242 22 8 3 -32,128 0,280085779694781 BBB+ HIA- Caco2-
DB03733 mol2, pdbqt 71,86 -1,786 98,9598 1,4358 0 0 0 -2,365 6,77810141067582E-02 BBB+ HIA+ Caco2+
DB03734 mol2, pdbqt 129,71 0,178 195,126 -3,792 8 6 1 3,0042 0,961340217165364 BBB+ HIA+ Caco2-
DB03735 mol2, pdbqt 179,82 -2,491 250,257 -0,1637 7 2 0 0,77574 0,789163365345481 BBB+ HIA+ Caco2-
DB03736 mol2, pdbqt 98,08 -1,908 112,171 1,2834 1 0 0 -4,9211 0,387629277965188 BBB+ HIA+ Caco2+
DB03737 mol2, pdbqt 292,4 -3,733 385,394 -0,0056999 7 5 0 -4,0628 0,405570304519969 BBB- HIA+ Caco2-
Page 
 of 344
Records 3281 to 3300 of 6870
These data are only available for scientific research purposes.