• Drug Bank
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Records 721 to 740 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
DB00867 mol2, pdbqt 72,72 -2,277 287,358 1,8921 4 4 0 4,3739 0,908472267383168 BBB- HIA+ Caco2-
DB00868 mol2, pdbqt 121,4 -1,946 603,747 1,7022 12 1 2 -12,602 0,176205306291769 BBB+ HIA+ Caco2+
DB00869 mol2, pdbqt 151,33 -2,357 324,445 0,2792 6 2 0 3,5782 0,897962204530277 BBB+ HIA+ Caco2-
DB00870 mol2, pdbqt 82,61 -4,072 260,312 2,5669 3 1 0 3,0367 0,501364429202332 BBB+ HIA+ Caco2+
DB00871 mol2, pdbqt 72,72 -1,251 225,287 0,8308 4 4 0 8,1764 0,577999457273019 BBB- HIA+ Caco2-
DB00872 mol2, pdbqt 78,09 -7,296 498,584 6,1984 6 2 1 4,8893 0,251846557223141 BBB+ HIA+ Caco2+
DB00873 mol2, pdbqt 83,83 -4,415 394,893 2,288 5 2 0 3,5468 0,418693665437933 BBB+ HIA+ Caco2+
DB00874 mol2, pdbqt 58,92 -1,316 198,217 0,4318 4 2 0 -1,0644 0,609309762860894 BBB- HIA+ Caco2-
DB00875 mol2, pdbqt 52,01 -3,962 434,525 4,9219 3 1 0 1,7318 0,309087187061798 BBB+ HIA+ Caco2-
DB00876 mol2, pdbqt 120,66 -2,9 424,52 3,9658 6 2 0 -0,21321 0,508752661682215 BBB- HIA+ Caco2-
DB00877 mol2, pdbqt 195,43 -6,713 914,182 6,5106 14 3 3 2,3788 0,16406514556606 BBB- HIA- Caco2-
DB00878 mol2, pdbqt 167,58 -4,084 505,456 3,025 10 10 2 -1,7755 0,341788908561116 BBB+ HIA+ Caco2+
DB00879 mol2, pdbqt 113,45 -1,869 247,249 -0,747 6 2 0 1,29 0,851981339592902 BBB+ HIA+ Caco2-
DB00880 mol2, pdbqt 135,45 -2,768 295,727 -0,049 7 2 0 5,2281 0,908450582480984 BBB- HIA+ Caco2-
DB00881 mol2, pdbqt 95,94 -3,463 438,522 0,6984 7 2 0 -1,26 0,463341704278811 BBB- HIA+ Caco2-
DB00882 mol2, pdbqt 12,47 -4,147 405,967 5,1364 2 0 1 7,0114 7,08932899663584E-02 BBB+ HIA+ Caco2+
DB00883 mol2, pdbqt 128,56 -2,286 236,136 -2,2228 10 0 0 -2,5725 0,508145644222752 BBB+ HIA+ Caco2-
DB00884 mol2, pdbqt 167,8 1,228 283,112 -6,6358 8 5 0 -10,644 0,482292048481936 BBB+ HIA- Caco2-
DB00885 mol2, pdbqt 87,13 -0,921 228,215 -1,4144 7 1 0 -0,80745 0,636276555857457 BBB+ HIA+ Caco2+
DB00887 mol2, pdbqt 127,1 -4,725 364,421 2,2664 7 3 0 1,3809 0,37663186003635 BBB- HIA+ Caco2-
Page 
 of 344
Records 721 to 740 of 6870
These data are only available for scientific research purposes.