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Records 2141 to 2160 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
178355 BDB-kin21044.mol2, BDB-kin21044.pdbqt 429,7 143,93 -6,889 592,63 3,309 13 2 2 1,4456 0,235504307273138
178356 BDB-kin21045.mol2, BDB-kin21045.pdbqt 430,44 131,04 -6,351 579,631 3,755 12 2 2 1,1436 0,300763213230648
178357 BDB-kin21046.mol2, BDB-kin21046.pdbqt 430,94 131,04 -7,34 591,642 4,1379 12 2 2 1,4456 0,261847778215473
178358 BDB-kin21047.mol2, BDB-kin21047.pdbqt 410,14 126,74 -5,834 564,62 2,5683 12 2 2 4,0802 0,4076731658228
178359 BDB-kin21048.mol2, BDB-kin21048.pdbqt 429,7 143,93 -6,877 592,63 3,5937 13 2 2 1,4456 0,288158424096259
178360 BDB-kin21049.mol2, BDB-kin21049.pdbqt 444,7 131,04 -6,631 605,669 3,4959 12 2 2 1,7519 0,298715951610344
178361 BDB-kin21050.mol2, BDB-kin21050.pdbqt 423,35 143,93 -6,575 574,64 3,2082 13 2 2 2,7856 0,272492755546234
178362 BDB-kin21051.mol2, BDB-kin21051.pdbqt 433,03 108,92 -7,531 610,635 5,2535 10 2 2 -4,4705 0,117957063750123
178363 BDB-kin21052.mol2, BDB-kin21052.pdbqt 462,61 140,27 -6,886 629,716 3,6711 13 2 2 -2,1159 0,164706498194791
178364 BDB-kin21053.mol2, BDB-kin21053.pdbqt 392,88 108,92 -6,136 554,543 3,6564 10 2 1 -4,472 0,189056745275771
178365 BDB-kin21054.mol2, BDB-kin21054.pdbqt 376,18 108,92 -5,86 512,584 3,2955 10 2 1 1,769 0,32472369022488
178366 BDB-kin21055.mol2, BDB-kin21055.pdbqt 389,44 108,92 -5,666 514,6 3,6265 10 2 1 1,1537 0,308650812296149
178367 BDB-kin21056.mol2, BDB-kin21056.pdbqt 380,06 121,39 -5,466 522,583 3,2678 11 2 2 2,8913 0,446898164313457
178368 BDB-kin21057.mol2, BDB-kin21057.pdbqt 436,39 144,18 -7,074 607,641 3,2531 13 2 2 -2,2411 0,171404772001868
178369 BDB-kin21058.mol2, BDB-kin21058.pdbqt 439,38 108,92 -7,845 628,625 5,3543 10 2 2 -4,4705 0,110751533679464
178370 BDB-kin21059.mol2, BDB-kin21059.pdbqt 438,53 118,15 -7,399 608,644 4,5368 11 2 2 1,4456 0,239894183905498
178371 BDB-kin21060.mol2, BDB-kin21060.pdbqt 435,89 144,18 -6,61 595,63 3,2216 13 2 2 -0,53642 0,229835756079688
178372 BDB-kin21061.mol2, BDB-kin21061.pdbqt 430,04 144,18 -6,76 589,651 3,1523 13 2 2 -0,90112 0,215958443414292
178373 BDB-kin21062.mol2, BDB-kin21062.pdbqt 408,68 121,81 -6,797 561,616 3,8565 11 2 2 1,3795 0,298772943481261
178374 BDB-kin21063.mol2, BDB-kin21063.pdbqt 397,87 134,95 -6,225 539,566 3,2362 12 2 2 2,2052 0,373827977153811
These data are only available for scientific research purposes.