• Drug Bank
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Records 2321 to 2340 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
DB02671 mol2, pdbqt 76,5 -0,094 83,1136 -0,0474 2 1 0 2,1096 0,936296991989867 BBB+ HIA+ Caco2+
DB02673 mol2, pdbqt 402,37 -4,51 529,655 3,9504 7 1 1 0,37553 0,396396462648638 BBB+ HIA+ Caco2+
DB02674 mol2, pdbqt 161,3 -2,166 230,287 0,1506 5 3 0 -7,1552 0,475447822751637 BBB+ HIA+ Caco2-
DB02675 mol2, pdbqt 328,35 -0,412 491,444 -6,224 14 9 2 -10,993 0,379494672100405 BBB- HIA- Caco2-
DB02676 mol2, pdbqt 219,18 1,244 282,335 -3,7822 8 8 1 -17,156 0,482402156279539 BBB- HIA- Caco2-
DB02677 mol2, pdbqt 270,67 -0,161 361,181 -0,7825 8 5 0 -20,607 0,219716871511485 BBB+ HIA- Caco2-
DB02678 mol2, pdbqt 120,18 0,175 179,171 -3,0186 6 5 0 0,12186 0,754987347269477 BBB- HIA- Caco2-
DB02679 mol2, pdbqt 43,73 -0,587 42,0409 -1,0902 2 1 0 -4,2384 0,301486717286604 BBB+ HIA+ Caco2+
DB02680 mol2, pdbqt 120,6 -2,536 168,108 -0,1836 6 0 0 -7,74 0,284927873711432 BBB+ HIA+ Caco2+
DB02681 mol2, pdbqt 235,72 -0,854 662,591 4,3121 19 2 2 -2,5375 0,249287973498063 BBB+ HIA- Caco2-
DB02683 mol2, pdbqt 601,12 -6,292 768,909 1,9932 14 6 3 0,97667 0,212728497215663 BBB- HIA- Caco2-
DB02684 mol2, pdbqt 293,36 -3,112 449,468 -2,9136 14 5 1 -12,123 0,384641813285023 BBB+ HIA+ Caco2-
DB02685 mol2, pdbqt 144,4 -1,885 179,218 -1,2053 3 2 0 -11,034 0,483795316785929 BBB+ HIA+ Caco2+
DB02686 mol2, pdbqt 373,33 -2,307 496,591 0,4659 11 7 2 -31,617 0,363648436901436 BBB- HIA- Caco2-
DB02688 mol2, pdbqt 68,87 -0,675 87,0777 -2,3215 3 2 0 -8,716 0,494914257236126 BBB- HIA+ Caco2-
DB02689 mol2, pdbqt 154,49 -1,53 228,292 -3,6519 6 3 0 -12,123 0,483317395052618 BBB+ HIA+ Caco2-
DB02690 mol2, pdbqt 130,55 -1,739 176,175 0,4433 4 2 0 1,5437 0,881553031387786 BBB+ HIA+ Caco2-
DB02691 mol2, pdbqt 339,56 -4,247 465,628 2,2631 7 5 0 -2,1358 0,360546064820773 BBB+ HIA+ Caco2-
DB02693 mol2, pdbqt 100,2 -1,576 152,238 0,0538 2 2 0 -0,79049 0,638522055465112 BBB+ HIA+ Caco2-
DB02694 mol2, pdbqt 316,58 -1,553 477,366 -3,913 15 6 2 -43,751 0,385799660085042 BBB- HIA- Caco2-
Page 
 of 344
Records 2321 to 2340 of 6870
These data are only available for scientific research purposes.