• Drug Bank
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Records 1321 to 1340 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
DB01588 mol2, pdbqt 32,67 -5,488 324,81 3,709 3 0 0 5,5104 0,209181279678153 BBB+ HIA+ Caco2+
DB01589 mol2, pdbqt 47,69 -6,963 386,799 4,1954 2 0 0 -5,0978 0,171535084546706 BBB+ HIA+ Caco2+
DB01590 mol2, pdbqt 204,66 -6,634 958,235 6,4181 15 3 3 1,9808 0,163891943448478 BBB- HIA- Caco2-
DB01591 mol2, pdbqt 32,78 -3,799 362,471 4,3998 4 0 0 1,1067 0,585958178544323 BBB+ HIA+ Caco2+
DB01594 mol2, pdbqt 76,69 -5,518 357,771 2,8412 5 1 0 -4,2876 0,109667867955246 BBB+ HIA+ Caco2+
DB01595 mol2, pdbqt 87,28 -4,42 281,27 1,0987 6 1 0 -2,3785 0,255463887246891 BBB+ HIA+ Caco2+
DB01597 mol2, pdbqt 155,02 -2,668 358,457 -0,8388 7 4 0 -9,2775 0,440320440564982 BBB- HIA+ Caco2-
DB01598 mol2, pdbqt 141,52 -1,928 299,35 -1,7958 7 3 0 5,3361 0,934717187971795 BBB- HIA- Caco2-
DB01599 mol2, pdbqt 91,06 -8,804 516,852 10,673 2 2 2 -2,4621 0,10019033469259 BBB+ HIA+ Caco2+
DB01600 mol2, pdbqt 82,61 -4,182 260,312 2,6491 3 1 0 2,5388 0,60768999515083 BBB+ HIA+ Caco2+
DB01601 mol2, pdbqt 120 -6,131 628,811 4,847 9 4 1 6,5929 0,168608714851192 BBB- HIA- Caco2+
DB01602 mol2, pdbqt 162,56 -2,832 465,525 1,2902 10 2 0 4,1403 0,7449108138739 BBB- HIA+ Caco2+
DB01603 mol2, pdbqt 130,47 -2,108 380,42 1,3994 8 2 0 10,637 0,868380523316475 BBB- HIA- Caco2-
DB01604 mol2, pdbqt 153,33 -3,032 463,553 1,7196 9 2 0 7,2725 0,740606943599214 BBB- HIA- Caco2+
DB01605 mol2, pdbqt 113,81 -3,458 439,575 3,2427 8 0 0 3,6101 0,697669941584194 BBB- HIA- Caco2-
DB01606 mol2, pdbqt 130,84 0,137 300,294 -1,5093 9 1 0 1,3669 0,857802778722364 BBB- HIA- Caco2-
DB01607 mol2, pdbqt 177,55 -1,78 384,432 0,4731 8 3 0 10,127 0,878012330020509 BBB- HIA- Caco2-
DB01608 mol2, pdbqt 75,8 -5,395 365,5 4,1174 4 1 0 1,6451 0,18163755926637 BBB+ HIA+ Caco2+
DB01609 mol2, pdbqt 108,47 -5,439 373,367 2,7844 7 3 0 2,0773 0,455066491590062 BBB+ HIA+ Caco2+
DB01610 mol2, pdbqt 167,08 -2,275 354,366 -1,8203 11 4 1 -14,121 0,448430619987322 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1321 to 1340 of 6870
These data are only available for scientific research purposes.