• Drug Bank
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Records 2881 to 2900 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
DB03275 mol2, pdbqt 90,8 -0,243 120,176 -1,7305 3 3 0 -5,4125 0,497190434986374 BBB+ HIA+ Caco2-
DB03276 mol2, pdbqt 516,76 -6,501 688,759 1,0311 11 6 3 -12,306 9,61115526946393E-02 BBB+ HIA+ Caco2-
DB03277 mol2, pdbqt 321,63 0,851 504,436 -6,295 16 11 3 -11,5 0,371142111258875 BBB+ HIA- Caco2-
DB03278 mol2, pdbqt 91,42 0,288 122,119 -2,011 4 4 0 -1,1346 0,616524381694659 BBB- HIA+ Caco2-
DB03279 mol2, pdbqt 387,09 -2,577 510,618 0,9203 11 7 3 -31,617 0,349173950227452 BBB- HIA- Caco2-
DB03280 mol2, pdbqt 534,13 2,003 891,354 -14,534 30 10 3 -30,904 0,252147150106702 BBB- HIA+ Caco2-
DB03281 mol2, pdbqt 214,73 0,152 326,297 -3,6058 10 7 1 -3,9116 0,48018115712274 BBB+ HIA- Caco2-
DB03283 mol2, pdbqt 110,16 -0,256 164,156 -1,6941 5 4 0 0,38132 0,786241014425603 BBB+ HIA- Caco2-
DB03284 mol2, pdbqt 110,27 -0,418 160,125 -1,6909 5 3 0 -3,5356 0,506980058863187 BBB+ HIA+ Caco2-
DB03285 mol2, pdbqt 196,32 -2,952 256,256 2,2667 4 3 0 0,13358 0,327823602463504 BBB+ HIA+ Caco2+
DB03286 mol2, pdbqt 170,86 0,29 251,218 -4,1572 10 7 1 -7,0617 0,292286795164669 BBB- HIA- Caco2-
DB03287 mol2, pdbqt 284,23 0,675 389,3 -7,0788 11 5 1 -18,805 0,357501975707723 BBB- HIA- Caco2-
DB03288 mol2, pdbqt 272,88 -3,24 365,86 1,4832 6 4 0 2,6944 0,81065790095501 BBB+ HIA+ Caco2-
DB03289 mol2, pdbqt 109,32 1,924 229,088 -2,9934 5 4 0 -6,5171 0,188573366814572 BBB+ HIA+ Caco2-
DB03290 mol2, pdbqt 270,78 -0,225 361,181 -0,6098 8 5 0 -20,808 0,219596649298568 BBB+ HIA- Caco2-
DB03291 mol2, pdbqt 120,18 0,175 179,171 -3,0186 6 5 0 -1,0337 0,62274855534553 BBB- HIA- Caco2-
DB03292 mol2, pdbqt 108,85 0,749 169,073 -6,8467 6 4 0 -19,194 0,494585764764738 BBB+ HIA- Caco2-
DB03293 mol2, pdbqt 119,61 -2,618 182,139 -0,9551 7 3 0 2,6333 0,731565064234118 BBB+ HIA+ Caco2-
DB03294 mol2, pdbqt 154,66 -4,201 244,295 1,054 5 1 0 1,9986 0,769447938555121 BBB+ HIA+ Caco2-
DB03295 mol2, pdbqt 346,28 -1,638 434,56 -7,6669 11 7 2 -15,151 0,414639222523879 BBB- HIA- Caco2-
Page 
 of 344
Records 2881 to 2900 of 6870
These data are only available for scientific research purposes.