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Records 3301 to 3320 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50315728 BDB-kin50315747.mol2, BDB-kin50315747.pdbqt 225,07 80,06 -3,881 295,345 1,2444 6 2 0 1,3351 0,745909404836401
50315729 BDB-kin50315748.mol2, BDB-kin50315748.pdbqt 285,24 77,51 -3,203 367,451 0,9473 7 2 0 3,5557 0,831295476617536
50315730 BDB-kin50315749.mol2, BDB-kin50315749.pdbqt 302,26 77,51 -3,889 393,489 1,7383 7 2 0 2,2405 0,72945797765469
50315731 BDB-kin50315750.mol2, BDB-kin50315750.pdbqt 248,55 63,41 -3,352 324,383 1,4572 6 1 0 1,906 0,801790169812054
50315732 BDB-kin50315751.mol2, BDB-kin50315751.pdbqt 314,15 66,65 -3,552 407,516 1,8711 7 1 0 2,7908 0,753630239142384
50315733 BDB-kin50315752.mol2, BDB-kin50315752.pdbqt 288,4 86,3 -4,251 379,463 2,4053 7 3 0 1,9435 0,687197670822003
50315734 BDB-kin50315753.mol2, BDB-kin50315753.pdbqt 360,76 77,51 -5,212 469,587 4,0763 7 2 0 4,5405 0,49098446946898
50315735 BDB-kin50315754.mol2, BDB-kin50315754.pdbqt 367,11 77,51 -5,526 487,577 4,1771 7 2 0 3,2005 0,437892219077797
50315736 BDB-kin50315755.mol2, BDB-kin50315755.pdbqt 236,66 74,27 -4,639 310,356 1,4848 6 2 0 1,2622 0,66433031595334
50315737 BDB-kin50315756.mol2, BDB-kin50315756.pdbqt 222,9 74,27 -4,459 296,329 1,7364 6 2 0 1,3643 0,690739260294966
50315738 BDB-kin50315757.mol2, BDB-kin50315757.pdbqt 298,63 66,65 -3,43 381,478 1,1671 7 1 0 3,9039 0,808295321326606
50315739 BDB-kin50315758.mol2, BDB-kin50315758.pdbqt 284,87 66,65 -3,25 367,451 1,4187 7 1 0 4,0077 0,828650650512537
50315740 BDB-kin50315759.mol2, BDB-kin50315759.pdbqt 377,71 100,44 -5,304 486,578 2,2563 10 2 0 4,5073 0,529048438386046
50315741 BDB-kin50315760.mol2, BDB-kin50315760.pdbqt 377,71 100,44 -4,779 486,578 1,9049 10 2 0 4,5073 0,582593920750196
50315742 BDB-kin50315761.mol2, BDB-kin50315761.pdbqt 377,71 100,44 -4,779 486,578 1,9049 10 2 0 4,5073 0,582593920750196
50315743 BDB-kin50315762.mol2, BDB-kin50315762.pdbqt 385,3 87,55 -5,888 503,58 3,0066 9 2 1 3,1673 0,442892878000146
50315744 BDB-kin50315907.mol2, BDB-kin50315907.pdbqt 345,21 87,55 -4,367 437,546 1,6034 9 2 0 4,9572 0,680315667652207
50315745 BDB-kin50315908.mol2, BDB-kin50315908.pdbqt 331,45 87,55 -4,067 423,519 1,1971 9 2 0 5,3023 0,726442901017597
50315746 BDB-kin50315909.mol2, BDB-kin50315909.pdbqt 315,74 108,06 -5,988 415,456 2,2226 9 3 0 1,8844 0,499671071156478
50315747 BDB-kin50315910.mol2, BDB-kin50315910.pdbqt 358,59 97,2 -6,396 497,48 3,0957 9 2 0 -5,3056 0,212248191728099
These data are only available for scientific research purposes.