• Drug Bank
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 of 344
Records 3361 to 3380 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
DB03804 mol2, pdbqt 230,52 -2,808 389,225 0,3606 7 3 0 1,6116 0,465548792017428 BBB+ HIA+ Caco2-
DB03807 mol2, pdbqt 214,69 -3,264 278,738 2,5495 4 0 0 0,038872 0,648568003522942 BBB+ HIA+ Caco2+
DB03808 mol2, pdbqt 293,24 -2,502 354,452 2,2088 6 4 0 -9,6084 0,432450785783369 BBB+ HIA+ Caco2-
DB03809 mol2, pdbqt 251,18 -3,49 311,388 2,586 6 1 0 0,48917 0,673159706280112 BBB+ HIA+ Caco2+
DB03810 mol2, pdbqt 121,24 -0,581 161,156 -3,1403 5 3 0 -13,71 0,492764408538033 BBB+ HIA+ Caco2-
DB03811 mol2, pdbqt 101,21 -0,398 142,181 -1,2586 4 3 0 -5,1902 0,297857766003848 BBB+ HIA+ Caco2-
DB03812 mol2, pdbqt 284,36 -0,145 440,301 -6,2346 15 8 2 -11,948 0,333070021222529 BBB- HIA- Caco2-
DB03813 mol2, pdbqt 239,05 -2,44 271,424 2,9664 3 1 0 -21,045 0,44043265950171 BBB+ HIA+ Caco2+
DB03814 mol2, pdbqt 145,7 0,602 196,246 -2,9871 5 2 0 -11,587 0,492649541814849 BBB+ HIA+ Caco2-
DB03815 mol2, pdbqt 121,27 0,039 166,172 -2,2191 5 5 0 -0,80532 0,387761085429341 BBB- HIA+ Caco2-
DB03816 mol2, pdbqt 128,83 -1,672 185,193 -0,9698 3 2 0 -15,946 0,485231055591578 BBB+ HIA+ Caco2-
DB03817 mol2, pdbqt 94,66 -0,245 118,135 -5,588 4 3 0 -11,182 0,495345958794248 BBB+ HIA+ Caco2-
DB03818 mol2, pdbqt 237,27 -2,587 328,456 1,2095 5 1 0 -5,2878 0,449571880528853 BBB+ HIA+ Caco2-
DB03819 mol2, pdbqt 115,17 -1,608 153,137 0,2846 4 3 0 -0,16806 0,425112791823921 BBB+ HIA+ Caco2-
DB03820 mol2, pdbqt 302,31 -1,299 429,472 -4,702 11 4 1 1,211 0,743272810844201 BBB- HIA- Caco2-
DB03821 mol2, pdbqt 123,94 1,867 201,071 -7,8693 8 5 0 -24,95 0,493009799905292 BBB+ HIA- Caco2-
DB03822 mol2, pdbqt 85,99 1,103 126,048 -3,1933 4 2 0 -22,651 0,496595557909931 BBB+ HIA+ Caco2-
DB03823 mol2, pdbqt 206,38 -1,468 306,269 1,163 7 6 1 0,31525 0,73537879158695 BBB- HIA+ Caco2-
DB03824 mol2, pdbqt 138,78 -2,857 259,085 1,5625 1 1 0 0,49525 0,736267774067706 BBB+ HIA+ Caco2+
DB03825 mol2, pdbqt 357,37 -8,392 443,565 6,4776 5 2 1 -4,0465 8,28513489272465E-02 BBB- HIA+ Caco2+
Page 
 of 344
Records 3361 to 3380 of 6870
These data are only available for scientific research purposes.