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Records 1081 to 1100 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
127371 BDB-kin136383.mol2, BDB-kin136383.pdbqt 312,21 65,46 -4,987 424,507 3,2728 7 0 0 6,0668 0,594201150736553
127372 BDB-kin136384.mol2, BDB-kin136384.pdbqt 285,69 80,24 -5,189 383,41 2,796 7 1 0 2,8445 0,604917861339217
127373 BDB-kin136385.mol2, BDB-kin136385.pdbqt 322,58 109,7 -4,962 435,483 1,989 9 2 0 1,2778 0,331864208333014
127374 BDB-kin136386.mol2, BDB-kin136386.pdbqt 285,06 100,47 -5,041 391,43 2,0815 8 2 0 1,9645 0,365029641192842
127375 BDB-kin136387.mol2, BDB-kin136387.pdbqt 324,63 74,69 -4,707 432,526 3,0029 8 0 0 6,0224 0,624772479990591
127376 BDB-kin136388.mol2, BDB-kin136388.pdbqt 353,94 95 -3,434 475,551 1,5875 10 0 0 5,3969 0,705415067056614
127377 BDB-kin136389.mol2, BDB-kin136389.pdbqt 327,64 117,78 -3,88 447,498 0,9695 10 1 0 6,9054 0,717930534335849
127378 BDB-kin136390.mol2, BDB-kin136390.pdbqt 287,31 80,68 -4,527 391,43 2,1279 8 0 0 -2,5591 0,37641598411234
127379 BDB-kin136391.mol2, BDB-kin136391.pdbqt 343,17 65,46 -6,027 492,504 4,1634 7 0 0 -1,1265 0,25411923382499
127380 BDB-kin136392.mol2, BDB-kin136392.pdbqt 329,08 103,79 -4,49 447,498 2,023 10 1 0 4,7328 0,652119205486854
127381 BDB-kin136393.mol2, BDB-kin136393.pdbqt 358,98 102,76 -5,249 496,569 3,1427 9 1 0 3,6897 0,500150612617354
127382 BDB-kin136394.mol2, BDB-kin136394.pdbqt 366,5 89,01 -3,452 488,594 1,5539 10 0 0 5,4285 0,687505956856957
127383 BDB-kin136395.mol2, BDB-kin136395.pdbqt 361,15 108,55 -5,325 495,585 2,7449 9 1 0 3,945 0,50665724740534
127384 BDB-kin136396.mol2, BDB-kin136396.pdbqt 308,5 82,45 -5,975 425,491 3,4753 7 1 0 0,60979 0,245123264000191
127385 BDB-kin136397.mol2, BDB-kin136397.pdbqt 346,02 91,68 -5,896 469,543 3,3828 8 1 0 -0,12667 0,207209051447297
127386 BDB-kin136398.mol2, BDB-kin136398.pdbqt 332,44 113,8 -4,475 450,497 1,8031 10 1 0 -0,021814 0,294220619213173
127387 BDB-kin136399.mol2, BDB-kin136399.pdbqt 346,24 94,92 -4,956 462,552 2,3137 9 1 0 0,23612 0,275413487405301
127388 BDB-kin136400.mol2, BDB-kin136400.pdbqt 343,39 68,7 -5,087 485,512 3,0943 8 0 0 -0,89769 0,343948607973186
127389 BDB-kin136401.mol2, BDB-kin136401.pdbqt 310,03 70,39 -4,088 445,448 1,9097 8 0 0 0,82974 0,589277252930033
127390 BDB-kin136402.mol2, BDB-kin136402.pdbqt 323,68 91,68 -4,763 433,51 2,4638 8 1 0 -0,13546 0,279012585137072
These data are only available for scientific research purposes.