• Drug Bank
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Records 1601 to 1620 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
DB01895 mol2, pdbqt 301,57 -1,274 462,311 -7,1713 16 6 2 -44,177 0,398056208670772 BBB+ HIA- Caco2-
DB01896 mol2, pdbqt 109,08 1,029 136,946 0,7057 3 3 0 -12,9 0,492899472798691 BBB+ HIA+ Caco2+
DB01897 mol2, pdbqt 341,39 -4,863 466,504 3,4098 9 2 0 -0,92217 0,129806954026949 BBB+ HIA+ Caco2-
DB01898 mol2, pdbqt 121,24 -0,581 161,156 -3,1403 5 3 0 -13,71 0,492764408538033 BBB+ HIA+ Caco2-
DB01899 mol2, pdbqt 159,59 -1,788 236,143 -6,8017 8 5 0 -15,704 0,288240775951766 BBB+ HIA- Caco2-
DB01901 mol2, pdbqt 527,63 9,85 982,8 -17,529 35 8 3 -0,39873 0,351468750825093 BBB+ HIA- Caco2-
DB01902 mol2, pdbqt 99,34 -0,757 127,142 -0,0707 3 0 0 -2,3235 0,536017308960372 BBB+ HIA+ Caco2+
DB01903 mol2, pdbqt 215,05 -0,307 387,078 -4,4782 10 4 0 -23,429 0,446685600916373 BBB+ HIA- Caco2-
DB01904 mol2, pdbqt 110,27 0,417 152,145 -2,5784 5 5 0 -0,73911 0,654967901580896 BBB- HIA+ Caco2-
DB01905 mol2, pdbqt 213,06 -2,963 283,31 1,1748 6 4 0 0,21599 0,699233090103176 BBB+ HIA+ Caco2-
DB01906 mol2, pdbqt 190,83 -2,967 272,224 -0,1022 9 3 0 2,215 0,519474000335 BBB+ HIA+ Caco2-
DB01908 mol2, pdbqt 470,12 -3,9 637,624 -0,4485 12 5 2 -7,3422 0,253606296381476 BBB+ HIA- Caco2-
DB01909 mol2, pdbqt 610,86 1,27 972,842 -11,023 30 18 3 -10,037 0,250629559486405 BBB+ HIA- Caco2-
DB01910 mol2, pdbqt 268,48 -3,011 381,392 -6,2804 12 6 2 -13,219 0,424292056129899 BBB+ HIA+ Caco2-
DB01911 mol2, pdbqt 450,04 -5,895 580,727 5,5294 8 3 2 2,6941 0,272922016124954 BBB- HIA+ Caco2-
DB01912 mol2, pdbqt 189,06 -2,171 233,273 2,3393 3 0 0 -1,7698 0,528080221568746 BBB+ HIA+ Caco2+
DB01914 mol2, pdbqt 118,22 0,331 180,155 -3,3581 6 5 0 -2,3409 0,536804521853649 BBB+ HIA+ Caco2-
DB01915 mol2, pdbqt 96,22 -0,396 137,159 -4,7682 4 3 0 -6,7369 0,494936478458263 BBB+ HIA+ Caco2-
DB01917 mol2, pdbqt 85,58 -0,662 88,1533 -0,763 2 2 0 -3,5308 0,182988349589392 BBB+ HIA+ Caco2+
DB01918 mol2, pdbqt 63,62 -2,676 201,679 0,3687 2 1 0 -1,8442 0,319799010231431 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1601 to 1620 of 6870
These data are only available for scientific research purposes.