• Drug Bank
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Records 1761 to 1780 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
DB02070 mol2, pdbqt 158,41 -2,068 208,216 -2,6604 5 3 0 -12,407 0,480107429595979 BBB- HIA+ Caco2-
DB02071 mol2, pdbqt 314,26 -4,237 427,48 1,5257 8 2 0 4,1902 0,25229887444132 BBB- HIA+ Caco2-
DB02072 mol2, pdbqt 191,88 -2,979 287,315 0,4098 6 3 0 0,26321 0,70671774499415 BBB- HIA- Caco2-
DB02073 mol2, pdbqt 447,97 -5,285 582,655 3,687 10 5 1 0,24821 0,190152292640514 BBB- HIA- Caco2-
DB02074 mol2, pdbqt 76,36 -0,771 86,0896 0,3575 2 1 0 -3,105 0,184844022466597 BBB+ HIA+ Caco2+
DB02075 mol2, pdbqt 222,19 0,913 346,235 -7,4311 11 7 2 -17,94 0,465260931175273 BBB- HIA- Caco2-
DB02076 mol2, pdbqt 173,23 2,144 276,133 -6,7392 10 7 1 -20,085 0,483862019307563 BBB+ HIA- Caco2-
DB02077 mol2, pdbqt 248,66 -1,165 330,348 -7,6087 12 7 2 -0,12056 0,685185134615942 BBB+ HIA- Caco2-
DB02078 mol2, pdbqt 160,58 -0,068 178,227 -0,2054 4 0 0 -13,748 0,177023392143764 BBB+ HIA+ Caco2+
DB02079 mol2, pdbqt 69,88 -0,355 91,0657 -1,6712 4 2 0 -1,1359 0,369551594551868 BBB+ HIA+ Caco2-
DB02080 mol2, pdbqt 303,96 -3,434 352,513 4,5869 4 0 0 -17,092 0,203539837282516 BBB+ HIA+ Caco2+
DB02081 mol2, pdbqt 302,49 -3,2 376,502 2,4846 5 4 0 -4,6966 0,409444780542587 BBB+ HIA+ Caco2-
DB02082 mol2, pdbqt 309,94 3,704 522,196 -10,555 19 10 3 -29,496 0,358420971112381 BBB+ HIA- Caco2-
DB02083 mol2, pdbqt 86,18 0,418 103,12 -2,1194 3 1 0 0,017636 0,747062207720271 BBB+ HIA+ Caco2+
DB02084 mol2, pdbqt 348,79 -5,14 473,464 0,7568 10 5 0 0,83277 0,48720527202664 BBB+ HIA+ Caco2-
DB02085 mol2, pdbqt 70,55 -0,601 101,105 -2,929 3 2 0 -4,1387 0,502586098584971 BBB+ HIA+ Caco2-
DB02086 mol2, pdbqt 278,74 -3,558 416,351 4,8406 2 2 0 -1,825 7,90966915766718E-02 BBB+ HIA- Caco2+
DB02087 mol2, pdbqt 123,06 -2,143 193,173 0,6252 3 1 0 -3,7705 0,488213736656388 BBB+ HIA+ Caco2+
DB02088 mol2, pdbqt 124,53 -0,346 167,144 -4,5007 4 3 0 -17,727 0,493122583662593 BBB+ HIA+ Caco2-
DB02089 mol2, pdbqt 373,18 -5,27 503,385 3,246 8 4 1 -9,3159 0,148312550839802 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1761 to 1780 of 6870
These data are only available for scientific research purposes.