• Drug Bank
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Records 4821 to 4840 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
DB07143 mol2, pdbqt 279,1 -3,025 351,449 1,609 5 2 0 3,0072 0,837084394574404 BBB+ HIA+ Caco2-
DB07144 mol2, pdbqt 320,94 -7,518 386,497 5,0283 5 2 1 -4,6833 0,10904567247861 BBB+ HIA+ Caco2+
DB07145 mol2, pdbqt 327,46 -4,84 433,506 2,6425 7 2 0 5,4145 0,372559517117421 BBB- HIA+ Caco2-
DB07146 mol2, pdbqt 318,11 -6,103 398,508 3,9749 5 2 0 2,8375 0,224140881867246 BBB+ HIA+ Caco2-
DB07147 mol2, pdbqt 314,9 -4,74 420,464 2,7609 7 2 0 -0,55443 0,437530948387046 BBB+ HIA+ Caco2-
DB07148 mol2, pdbqt 274,32 -3,547 389,813 1,7595 6 0 0 4,6354 0,790905123342856 BBB+ HIA+ Caco2-
DB07149 mol2, pdbqt 204,47 -2,544 275,286 0,9503 6 3 0 2,5519 0,888856038184915 BBB+ HIA+ Caco2-
DB07150 mol2, pdbqt 205,08 -5,711 263,295 4,7222 3 2 0 -0,92873 0,156157601759259 BBB+ HIA+ Caco2+
DB07151 mol2, pdbqt 215,58 -4,868 278,31 2,9863 4 1 0 0,0475 0,253184953547486 BBB+ HIA+ Caco2+
DB07152 mol2, pdbqt 272,07 -3,985 362,367 2,4198 7 2 0 1,2605 0,684227778252826 BBB+ HIA+ Caco2-
DB07153 mol2, pdbqt 291,35 -5,069 356,425 2,9362 7 2 0 -6,5034 0,323793457096314 BBB+ HIA+ Caco2+
DB07154 mol2, pdbqt 250,65 -2,944 343,348 1,0806 5 2 0 4,3489 0,866690426309956 BBB+ HIA+ Caco2-
DB07155 mol2, pdbqt 224,84 -3,183 286,374 2,3003 4 1 0 -0,27498 0,62177653014046 BBB+ HIA+ Caco2+
DB07156 mol2, pdbqt 286,88 -4,294 426,313 2,5362 5 2 0 3,3569 0,673277408308276 BBB+ HIA+ Caco2-
DB07157 mol2, pdbqt 334,51 -3,186 450,426 -2,2886 9 4 0 -44,252 0,382180505338365 BBB+ HIA- Caco2-
DB07158 mol2, pdbqt 174,18 -3,037 227,266 1,5863 4 1 0 5,7539 0,905181372712798 BBB+ HIA+ Caco2+
DB07159 mol2, pdbqt 345,75 -5,88 470,46 2,9558 11 3 1 -1,1452 0,300332390987087 BBB- HIA+ Caco2-
DB07160 mol2, pdbqt 213,01 -1,43 273,284 -0,6369 7 2 0 -7,275 0,477404554844217 BBB- HIA+ Caco2-
DB07161 mol2, pdbqt 164,47 -4,377 209,251 2,2034 3 2 0 0,88272 0,24274072551896 BBB+ HIA+ Caco2+
DB07162 mol2, pdbqt 251,7 -4,717 344,438 2,475 6 3 0 2,3602 0,242997697996103 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4821 to 4840 of 6870
These data are only available for scientific research purposes.