• Drug Bank
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Records 6621 to 6640 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
DB09164 mol2, pdbqt 106,94 -2,373 350,413 0,177 7 3 0 -6,7219 0,268487391229969 BBB- HIA- Caco2-
DB09165 mol2, pdbqt 167,21 3,034 173,941 -11,436 7 0 0 -6,0575 0,496176836023897 BBB+ HIA- Caco2-
DB09166 mol2, pdbqt 71,31 -7,111 342,853 3,5967 4 0 0 4,844 0,464651697212396 BBB+ HIA+ Caco2+
DB09167 mol2, pdbqt 28,54 -4,465 295,449 3,8201 1 0 0 3,8377 0,410251037542845 BBB+ HIA+ Caco2+
DB09175 mol2, pdbqt 299,9 -3,343 376,459 2,9441 6 0 0 8,0214 0,787314954573092 BBB+ HIA+ Caco2-
DB09179 mol2, pdbqt 312,88 -3,556 380,53 4,2156 4 0 0 7,8025 0,689234878506632 BBB+ HIA+ Caco2+
DB09181 mol2, pdbqt 357,1 -4,031 466,559 4,0071 8 0 0 5,9166 0,59553030864279 BBB+ HIA+ Caco2-
DB09183 mol2, pdbqt 113,19 -8,692 493,582 4,1211 8 2 0 -1,7124 9,18516598786408E-02 BBB+ HIA+ Caco2-
DB09185 mol2, pdbqt 39,72 -1,882 237,298 1,2602 4 1 0 -0,16859 0,552637192511655 BBB+ HIA+ Caco2+
DB09186 mol2, pdbqt 229,02 -2,801 271,359 2,7058 3 1 0 1,717 0,812235908040096 BBB+ HIA+ Caco2+
DB09187 mol2, pdbqt 200,4 -2,907 292,765 2,3836 4 1 0 6,9813 0,87747568346911 BBB+ HIA+ Caco2+
DB09188 mol2, pdbqt 235,24 -4,685 294,397 3,3305 3 1 0 3,5708 0,688569854005232 BBB+ HIA+ Caco2+
DB09189 mol2, pdbqt 231,25 -4,703 280,414 3,8967 2 1 0 2,9878 0,649822764995162 BBB+ HIA+ Caco2+
DB09190 mol2, pdbqt 239,86 -3,735 295,425 3,8104 2 1 0 -1,6287 0,439432989691552 BBB+ HIA+ Caco2+
DB09191 mol2, pdbqt 247,35 -6,585 311,492 4,7411 1 1 0 3,0058 0,425750058943254 BBB+ HIA+ Caco2+
DB09192 mol2, pdbqt 239,6 -3,298 302,484 3,3315 2 0 0 6,9396 0,812993582007882 BBB+ HIA+ Caco2+
DB09193 mol2, pdbqt 195,76 -3,45 237,345 2,8618 1 1 0 1,2667 0,482285950241376 BBB+ HIA+ Caco2+
DB09194 mol2, pdbqt 42,39 -3,148 377,918 3,0701 6 0 0 10,608 0,791145697087354 BBB+ HIA+ Caco2-
DB09195 mol2, pdbqt 37,19 -1,823 405,466 4,0265 5 0 0 -0,98741 0,472169282733371 BBB+ HIA+ Caco2-
DB09196 mol2, pdbqt 192,89 -2,7 251,3 1,8395 3 1 0 -3,0903 0,476112234604564 BBB+ HIA+ Caco2+
Page 
 of 344
Records 6621 to 6640 of 6870
These data are only available for scientific research purposes.