• Drug Bank
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 of 344
Records 2721 to 2740 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
DB03107 mol2, pdbqt 73,64 -0,298 89,0936 -2,896 3 2 0 -1,6073 0,578667968633444 BBB+ HIA+ Caco2-
DB03108 mol2, pdbqt 135,53 1,886 216,081 -5,6044 8 5 0 -20,702 0,49172362247171 BBB+ HIA- Caco2-
DB03109 mol2, pdbqt 153,24 -0,087 221,208 -2,4377 7 5 0 -0,29884 0,698023555346188 BBB- HIA- Caco2-
DB03110 mol2, pdbqt 95,03 -2,056 128,558 1,9199 1 1 0 -2,05 0,528120371869787 BBB+ HIA+ Caco2+
DB03111 mol2, pdbqt 160,3 1,755 259,15 -7,9892 9 6 1 -17,205 0,486556161572414 BBB- HIA- Caco2-
DB03112 mol2, pdbqt 188,82 -2,706 258,341 1,0594 5 3 0 -13,605 0,460223584990177 BBB+ HIA+ Caco2-
DB03113 mol2, pdbqt 116,68 1,175 188,047 -4,3359 6 3 0 -21,418 0,493683813402795 BBB+ HIA- Caco2-
DB03114 mol2, pdbqt 224,48 -2,715 298,274 1,1923 5 1 0 -39,57 0,217190464558692 BBB+ HIA+ Caco2-
DB03115 mol2, pdbqt 300,48 -6,042 561,087 3,8767 6 4 1 -1,2664 0,223392210593454 BBB+ HIA+ Caco2-
DB03116 mol2, pdbqt 256,13 2,872 422,171 -8,312 14 7 2 -18,062 0,429386706739768 BBB+ HIA- Caco2-
DB03117 mol2, pdbqt 566,51 0,134 853,627 -9,3284 25 10 3 -28,976 0,252795683012163 BBB- HIA- Caco2-
DB03118 mol2, pdbqt 207,27 -3,055 289,682 0,757 7 3 0 -1,3509 0,540330975117116 BBB+ HIA+ Caco2-
DB03120 mol2, pdbqt 120,45 -0,566 172,204 -0,2258 3 1 0 -11,132 0,294592560955863 BBB+ HIA+ Caco2-
DB03121 mol2, pdbqt 242,96 -2,958 309,364 3,0004 4 1 0 2,682 0,654763223142608 BBB+ HIA+ Caco2+
DB03124 mol2, pdbqt 326,85 -2,559 464,45 0,1264 11 5 1 0,90411 0,394123437743132 BBB- HIA+ Caco2-
DB03125 mol2, pdbqt 231,14 -3,325 291,33 1,0686 7 3 0 -1,7142 0,505877776862981 BBB+ HIA+ Caco2+
DB03126 mol2, pdbqt 361,2 -1,708 544,353 -5,184 16 5 2 -26,917 0,201812274829271 BBB+ HIA- Caco2-
DB03127 mol2, pdbqt 101,76 -0,885 121,162 0,3479 2 2 0 -1,2915 0,596918930544329 BBB+ HIA+ Caco2-
DB03128 mol2, pdbqt 29,54 0,255 146,209 -1,1594 3 0 0 2,631 0,956087746964748 BBB+ HIA- Caco2+
DB03129 mol2, pdbqt 153,36 1,605 188,014 -1,9006 6 3 0 -13,809 0,39491114873101 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2721 to 2740 of 6870
These data are only available for scientific research purposes.