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Records 123521 to 123540 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50440119 50440119.mol2, BDB-kin50440119.pdbqt 168,27 118,95 -1,486 210,24 -1,7196 7 4 0 -1,6209 0,565173752089977
50440135 50440135.mol2, BDB-kin50440135.pdbqt 358,4 109,5 -5,222 458,541 3,7685 7 2 0 4,5539 0,310148450912772
50440136 50440136.mol2, BDB-kin50440136.pdbqt 342,49 100,27 -5,518 446,505 3,9393 6 2 0 3,2139 0,291380807853538
50440137 50440137.mol2, BDB-kin50440137.pdbqt 351,56 100,27 -5,94 462,96 4,4445 6 2 0 4,6033 0,251586975776672
50440138 50440138.mol2, BDB-kin50440138.pdbqt 348,4 100,27 -5,548 442,542 4,1824 6 2 0 4,515 0,287567525983917
50440139 50440139.mol2, BDB-kin50440139.pdbqt 336,14 100,27 -5,204 428,515 3,8385 6 2 0 4,5539 0,324216453543847
50440140 50440140.mol2, BDB-kin50440140.pdbqt 311,68 162,71 -5,228 421,52 2,824 7 2 0 0,69182 0,490564362956974
50440141 50440141.mol2, BDB-kin50440141.pdbqt 299,42 162,71 -4,774 407,493 2,3979 7 2 0 0,86206 0,560469105636627
50440142 50440142.mol2, BDB-kin50440142.pdbqt 299,42 162,71 -4,774 407,493 2,3979 7 2 0 0,86206 0,560469105636627
50440143 50440143.mol2, BDB-kin50440143.pdbqt 313,18 162,71 -5,044 421,52 2,8523 7 2 0 0,60195 0,499270660923055
50440144 50440144.mol2, BDB-kin50440144.pdbqt 289,42 153,48 -5,1 391,494 2,8118 6 2 0 0,7525 0,525302182715751
50440145 50440145.mol2, BDB-kin50440145.pdbqt 313,18 162,71 -5,074 421,52 2,8042 7 2 0 -0,62838 0,407708564280295
50440146 50440146.mol2, BDB-kin50440146.pdbqt 299,42 162,71 -4,774 407,493 2,3979 7 2 0 0,86206 0,560469105636627
50440147 50440147.mol2, BDB-kin50440147.pdbqt 299,42 162,71 -4,774 407,493 2,3979 7 2 0 0,86206 0,560469105636627
50440148 50440148.mol2, BDB-kin50440148.pdbqt 279,42 144,25 -5,56 375,495 3,7541 5 2 0 -1,8362 0,312873888131198
50440149 50440149.mol2, BDB-kin50440149.pdbqt 279,42 144,25 -5,56 375,495 3,7541 5 2 0 -1,8362 0,312873888131198
50440150 50440150.mol2, BDB-kin50440150.pdbqt 285,77 144,25 -5,874 393,485 3,8549 5 2 0 -1,8362 0,288416789445625
50440151 50440151.mol2, BDB-kin50440151.pdbqt 339,2 162,71 -5,657 449,574 3,694 7 2 0 -1,9221 0,278190523322795
50440152 50440152.mol2, BDB-kin50440152.pdbqt 265,66 144,25 -5,29 361,468 3,2997 5 2 0 0,138 0,465202167170439
50440153 50440153.mol2, BDB-kin50440153.pdbqt 265,66 144,25 -5,29 361,468 3,2997 5 2 0 0,138 0,465202167170439
These data are only available for scientific research purposes.