• Drug Bank
Page 
 of 344
Records 801 to 820 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
DB00952 mol2, pdbqt 73,58 -3,195 335,471 2,5951 5 2 0 1,7575 0,775058651908966 BBB+ HIA+ Caco2-
DB00953 mol2, pdbqt 49,74 -1,701 269,351 1,0481 5 1 0 6,3274 0,943349847205202 BBB+ HIA+ Caco2+
DB00954 mol2, pdbqt 196,33 -3,723 835,081 1,9222 16 5 2 1,7727 0,246698547540843 BBB- HIA+ Caco2-
DB00955 mol2, pdbqt 199,73 -1,205 475,585 -4,0813 12 8 2 4,5954 0,773785767916678 BBB- HIA- Caco2-
DB00956 mol2, pdbqt 38,77 -3,14 299,369 1,9515 4 0 0 4,2643 0,867828308016048 BBB+ HIA+ Caco2+
DB00957 mol2, pdbqt 58,89 -5,372 369,503 4,644 4 1 0 0,096236 0,140106243967034 BBB+ HIA+ Caco2-
DB00958 mol2, pdbqt 52,6 -0,229 337,19 -0,6834 4 0 0 -7,6475 0,279854301033089 BBB+ HIA+ Caco2-
DB00959 mol2, pdbqt 94,83 -3,118 374,475 1,4107 5 3 0 4,166 0,831362512559793 BBB+ HIA+ Caco2-
DB00960 mol2, pdbqt 57,28 -2,493 248,325 1,2605 4 3 0 7,0744 0,928626419632315 BBB+ HIA+ Caco2+
DB00961 mol2, pdbqt 32,34 -2,803 246,353 2,396 3 1 0 4,8975 0,535852939850006 BBB+ HIA+ Caco2+
DB00962 mol2, pdbqt 74,29 -4,607 305,34 1,5075 6 0 0 1,5631 0,54951770337687 BBB+ HIA+ Caco2+
DB00963 mol2, pdbqt 80,39 -4,604 334,168 2,3207 4 2 0 -2,66 0,232270224380742 BBB+ HIA+ Caco2+
DB00964 mol2, pdbqt 62,44 -3,887 245,112 1,554 4 3 0 3,5419 0,831594205725743 BBB+ HIA+ Caco2+
DB00966 mol2, pdbqt 72,94 -6,799 514,627 6,3757 6 1 2 0,95437 0,215076924383097 BBB+ HIA+ Caco2-
DB00967 mol2, pdbqt 24,92 -4,241 310,827 4,0583 2 1 0 -0,6127 0,465452610827468 BBB+ HIA+ Caco2-
DB00968 mol2, pdbqt 103,78 -1,058 211,216 -1,86 5 4 0 -3,6955 0,399433330206352 BBB- HIA+ Caco2-
DB00969 mol2, pdbqt 53,92 -2,35 294,357 1,8051 5 1 0 6,6013 0,910314398293789 BBB+ HIA+ Caco2+
DB00970 mol2, pdbqt 355,54 -4,323 1255,43 -0,9435 28 5 2 6,3888 0,414923090295996 BBB- HIA+ Caco2-
DB00971 mol2, pdbqt 64,18 -1,57 143,092 0,8488 0 0 0 -4,2875 0,294955102838197 BBB+ HIA+ Caco2+
DB00972 mol2, pdbqt 35,91 -4,818 381,906 4,3744 4 0 0 6,0883 0,575146342614513 BBB+ HIA+ Caco2-
Page 
 of 344
Records 801 to 820 of 6870
These data are only available for scientific research purposes.