• Drug Bank
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Records 3621 to 3640 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
DB04081 mol2, pdbqt 196,12 -2,057 310,418 -0,1271 6 2 0 3,8045 0,916687988072101 BBB+ HIA+ Caco2-
DB04082 mol2, pdbqt 179,71 -3,087 188,31 3,6126 2 1 0 -22,927 0,332969937770141 BBB+ HIA+ Caco2+
DB04083 mol2, pdbqt 275,78 -0,109 375,317 -5,4932 10 5 0 -34,168 0,452551468284493 BBB- HIA- Caco2-
DB04084 mol2, pdbqt 118,01 -0,331 182,146 -1,9197 5 4 0 -2,6788 0,523672064987563 BBB+ HIA- Caco2-
DB04085 mol2, pdbqt 168,62 -1,053 236,183 -1,7231 7 0 0 -5,6362 0,486672830337078 BBB+ HIA+ Caco2-
DB04086 mol2, pdbqt 330,57 -2,408 510,379 -3,6546 16 6 3 -10,884 0,354411989570738 BBB- HIA- Caco2-
DB04087 mol2, pdbqt 145,3 1,598 216,125 -4,8004 7 5 0 -23,848 0,49162829181726 BBB+ HIA- Caco2-
DB04088 mol2, pdbqt 513,63 -6,144 677,661 2,4853 15 5 2 -11,379 7,93120214775043E-02 BBB- HIA- Caco2-
DB04089 mol2, pdbqt 233,75 -1,722 380,489 0,8552 7 2 0 6,3589 0,87967155053791 BBB+ HIA+ Caco2-
DB04090 mol2, pdbqt 158,35 -0,153 234,254 -0,3071 5 1 0 3,527 0,165901278607606 BBB- HIA+ Caco2-
DB04092 mol2, pdbqt 343,79 -1,971 459,545 -1,2254 10 4 0 5,5482 0,788532197445627 BBB- HIA+ Caco2-
DB04093 mol2, pdbqt 169,14 -3,122 170,295 3,9278 1 0 0 -22,307 0,087156641742263 BBB+ HIA+ Caco2+
DB04094 mol2, pdbqt 77,38 -0,669 88,1055 -0,0937 2 1 0 -6,8706 0,177838883914832 BBB+ HIA+ Caco2+
DB04095 mol2, pdbqt 101,3 -1,261 135,126 0,264 4 2 0 -0,73083 0,647926610086506 BBB+ HIA+ Caco2-
DB04096 mol2, pdbqt 220,29 0,455 339,296 -4,9107 11 8 2 -3,3752 0,386174365200827 BBB- HIA- Caco2-
DB04097 mol2, pdbqt 345,23 1,292 568,292 -8,4625 18 8 3 -35,603 0,326165416136001 BBB+ HIA- Caco2-
DB04098 mol2, pdbqt 394,99 -4,55 550,518 -0,0662 12 7 3 2,3015 0,518351724928767 BBB- HIA- Caco2-
DB04099 mol2, pdbqt 423,29 -0,937 665,42 -7,0648 21 8 3 -30,147 0,277826276386388 BBB+ HIA- Caco2-
DB04100 mol2, pdbqt 215,76 -2,286 450,45 0,9576 5 0 0 0,99625 0,683292092762052 BBB+ HIA- Caco2-
DB04101 mol2, pdbqt 192,33 -3,31 249,297 1,9814 6 2 0 2,6017 0,849091019477616 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3621 to 3640 of 6870
These data are only available for scientific research purposes.