• Drug Bank
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Records 3641 to 3660 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
DB04102 mol2, pdbqt 183,34 -2,401 266,26 -2,1374 9 4 0 1,6317 0,860797879105139 BBB+ HIA+ Caco2-
DB04103 mol2, pdbqt 106,21 -0,792 126,139 -0,7557 4 2 0 -1,7733 0,564313517388853 BBB+ HIA+ Caco2+
DB04104 mol2, pdbqt 112,99 -2,85 149,157 -1,5795 5 1 0 3,041 0,91880854806625 BBB+ HIA+ Caco2+
DB04105 mol2, pdbqt 139,32 -2,27 143,229 1,9621 2 1 0 -14,599 0,470378818551011 BBB+ HIA+ Caco2+
DB04106 mol2, pdbqt 234,32 -1,957 315,693 0,5922 8 1 0 -32,658 5,98375784161745E-02 BBB+ HIA+ Caco2-
DB04107 mol2, pdbqt 405,34 -3,799 525,611 2,3133 10 3 1 0,88981 0,520758335172814 BBB+ HIA+ Caco2-
DB04108 mol2, pdbqt 272,73 -4,146 346,493 2,1218 4 3 0 3,7082 0,457310033139569 BBB+ HIA+ Caco2-
DB04109 mol2, pdbqt 174,14 0,793 221,043 -0,7171 5 2 0 -17,11 0,391963329742596 BBB+ HIA+ Caco2-
DB04110 mol2, pdbqt 115,54 -2,124 153,137 0,7362 4 1 0 -7,537 0,479836518800523 BBB+ HIA+ Caco2+
DB04111 mol2, pdbqt 995,46 -8,593 1465,27 -6,1266 34 21 3 1,5448 0,187301397969061 BBB- HIA- Caco2-
DB04112 mol2, pdbqt 458,67 -4,577 539,756 5,5955 7 2 2 -55,71 0,18793272873471 BBB+ HIA- Caco2-
DB04113 mol2, pdbqt 98,64 -1,214 113,159 0,6833 2 0 0 -0,03153 0,262594256345866 BBB+ HIA+ Caco2+
DB04114 mol2, pdbqt 220,57 -5,3 298,816 4,7314 2 1 0 0,23357 0,160186399031118 BBB+ HIA+ Caco2+
DB04116 mol2, pdbqt 219,82 0,551 342,296 -4,4579 11 8 2 -4,6685 0,470673083547407 BBB+ HIA- Caco2-
DB04117 mol2, pdbqt 642,72 -0,687 940,752 -8,1791 25 9 3 -30,115 0,089854116015385 BBB- HIA+ Caco2-
DB04118 mol2, pdbqt 360,7 -6,01 491,546 4,4154 7 3 0 4,3105 9,07922212225383E-02 BBB- HIA+ Caco2-
DB04119 mol2, pdbqt 0 -0,53 180,95 0 0 0 0 -1 0,622079819868642 BBB+ HIA+ Caco2+
DB04120 mol2, pdbqt 98,22 -1,368 124,139 1,3121 2 2 0 -2,315 0,190247031125046 BBB- HIA+ Caco2+
DB04121 mol2, pdbqt 308,48 3,069 523,18 -11,341 19 9 3 -27,122 0,357670240785473 BBB+ HIA- Caco2-
DB04122 mol2, pdbqt 158,13 1,831 260,134 -5,8646 9 6 1 -19,186 0,486424844947948 BBB+ HIA- Caco2-
Page 
 of 344
Records 3641 to 3660 of 6870
These data are only available for scientific research purposes.