• Drug Bank
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Records 3221 to 3240 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
DB03648 mol2, pdbqt 584,94 -6,048 694,962 3,1382 12 8 3 -5,3295 0,160543039791209 BBB- HIA+ Caco2-
DB03649 mol2, pdbqt 184,34 0,341 302,546 -5,6562 8 5 0 -11,408 0,477475527405763 BBB+ HIA- Caco2-
DB03650 mol2, pdbqt 178,05 -3,11 238,245 1,3129 4 2 0 3,0473 0,88334967074209 BBB+ HIA+ Caco2+
DB03651 mol2, pdbqt 150,62 -2,7 229,104 -1,4509 10 1 0 -7,5665 0,468192009633667 BBB+ HIA+ Caco2-
DB03652 mol2, pdbqt 122 0,269 194,138 -2,9704 7 5 0 -1,2853 0,59912857803436 BBB+ HIA- Caco2-
DB03653 mol2, pdbqt 153,9 -0,655 180,254 0,0331 4 1 0 3,8207 0,96920908830746 BBB+ HIA+ Caco2+
DB03654 mol2, pdbqt 142,58 -2,213 179,307 0,739 2 1 0 -3,7228 0,312538543712574 BBB+ HIA+ Caco2+
DB03656 mol2, pdbqt 284,18 -2,815 395,395 1,6573 11 1 1 0,075179 0,226838306942712 BBB+ HIA+ Caco2-
DB03657 mol2, pdbqt 163,24 -0,402 237,207 -2,2345 8 5 0 -2,3171 0,530849241419896 BBB- HIA- Caco2-
DB03658 mol2, pdbqt 261,47 -1,575 367,425 -4,2976 8 5 0 1,6524 0,828476625597957 BBB- HIA- Caco2-
DB03659 mol2, pdbqt 75,56 -1,093 73,1383 0,5615 1 1 0 -4,5008 0,064296174583566 BBB+ HIA+ Caco2+
DB03660 mol2, pdbqt 158,42 -2,557 291,083 -1,1121 3 2 0 -10,404 0,461426418297315 BBB+ HIA+ Caco2+
DB03661 mol2, pdbqt 107,31 0,37 169,157 -5,2914 6 3 0 -12,312 0,494215993897908 BBB+ HIA- Caco2-
DB03662 mol2, pdbqt 252,46 0,234 348,291 -4,7668 9 5 0 -20,767 0,463909911469136 BBB- HIA- Caco2-
DB03663 mol2, pdbqt 180,76 -3,21 235,246 0,4329 7 2 0 -0,642 0,175292183537763 BBB+ HIA+ Caco2-
DB03664 mol2, pdbqt 528,75 2,526 893,326 -15,826 31 11 3 -30,956 0,252141373119592 BBB+ HIA- Caco2-
DB03666 mol2, pdbqt 236,25 0,071 348,231 -4,3568 12 4 1 -21,122 0,463707674139392 BBB+ HIA+ Caco2-
DB03667 mol2, pdbqt 148,83 -1,894 195,173 0,5446 5 2 0 -3,7228 0,17701054831029 BBB+ HIA+ Caco2-
DB03668 mol2, pdbqt 208,31 1,167 340,18 -6,1793 12 5 1 -19,194 0,467481319304043 BBB+ HIA- Caco2-
DB03669 mol2, pdbqt 113,48 -1,926 140,156 1,5932 1 1 0 -5,4791 0,307155977247221 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3221 to 3240 of 6870
These data are only available for scientific research purposes.