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Records 124861 to 124880 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50447631 50447631.mol2, BDB-kin50447631.pdbqt 388,94 145,12 -5,922 535,623 2,355 10 2 1 2,0016 0,407278435968489
50447172 50447172.mol2, BDB-kin50447172.pdbqt 267,94 24,92 -5,457 336,865 4,7617 2 1 0 1,387 0,456771888771539
50447173 50447173.mol2, BDB-kin50447173.pdbqt 279,13 66,49 -6,082 375,862 3,937 5 2 0 1,111 0,125131136249328
50447174 50447174.mol2, BDB-kin50447174.pdbqt 289,63 66,49 -5,996 377,878 4,1729 5 2 0 1,9675 0,131865941827592
50447249 50447249.mol2, BDB-kin50447249.pdbqt 391,61 114,71 -8,313 509,628 5,6554 6 2 2 3,0771 0,2497841341175
50447250 50447250.mol2, BDB-kin50447250.pdbqt 350,95 144,68 -5,623 477,544 2,7877 9 3 0 2,126 0,380520427110849
50447251 50447251.mol2, BDB-kin50447251.pdbqt 261,54 125,53 -4,179 377,383 2,0541 8 1 0 5,0233 0,447898856135677
50447252 50447252.mol2, BDB-kin50447252.pdbqt 255,48 97,87 -5,022 334,338 1,9765 8 2 0 4,2957 0,245283693167779
50447253 50447253.mol2, BDB-kin50447253.pdbqt 279,2 76,74 -6,819 384,386 4,4991 5 1 0 0,50667 0,202723155084568
50447262 50447262.mol2, BDB-kin50447262.pdbqt 382,08 143,23 -3,27 581,699 2,2822 8 1 1 -7,5371 0,182582633816126
50447263 50447263.mol2, BDB-kin50447263.pdbqt 306,7 108,14 -3,824 484,42 2,2247 7 2 0 -13,687 0,331064760321659
50447264 50447264.mol2, BDB-kin50447264.pdbqt 361,26 108,14 -6,658 536,496 3,5448 7 2 1 -18,102 0,182780593078594
50447265 50447265.mol2, BDB-kin50447265.pdbqt 369,09 130,17 -3,206 561,644 2,1476 8 2 1 -6,1459 0,299444254354191
50447266 50447266.mol2, BDB-kin50447266.pdbqt 369,09 130,17 -3,206 561,644 2,1476 8 2 1 -6,1459 0,299444254354191
50447267 50447267.mol2, BDB-kin50447267.pdbqt 369,09 130,17 -3,206 561,644 2,1476 8 2 1 -6,1459 0,299444254354191
50447268 50447268.mol2, BDB-kin50447268.pdbqt 369,09 130,17 -3,206 561,644 2,1476 8 2 1 -6,1459 0,299444254354191
50447269 50447269.mol2, BDB-kin50447269.pdbqt 369,09 130,17 -3,206 561,644 2,1476 8 2 1 -6,1459 0,299444254354191
50447270 50447270.mol2, BDB-kin50447270.pdbqt 369,09 130,17 -3,206 561,644 2,1476 8 2 1 -6,1459 0,299444254354191
50447271 50447271.mol2, BDB-kin50447271.pdbqt 330,3 108,14 -5,648 468,499 2,6061 7 2 0 -8,7063 0,256431088255895
50447272 50447272.mol2, BDB-kin50447272.pdbqt 363,5 109,94 -3,141 533,634 2,9682 7 1 1 -5,9093 0,308421082053778
These data are only available for scientific research purposes.