Page 
 of 213
Records 1681 to 1700 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
174384 BDB-kin174553.mol2, BDB-kin174553.pdbqt 345,94 100,91 -6,087 463,536 2,6793 9 1 0 1,3362 0,430741916550435
174385 BDB-kin174554.mol2, BDB-kin174554.pdbqt 334,61 119,59 -5,017 449,513 1,2942 10 1 0 1,9315 0,569972115885785
174386 BDB-kin174555.mol2, BDB-kin174555.pdbqt 328,32 114,55 -5,223 436,518 2,4668 10 2 0 -1,6955 0,202702385351478
174387 BDB-kin174559.mol2, BDB-kin174559.pdbqt 342,2 106,7 -6,102 466,515 2,3419 9 1 0 0,59148 0,397050950823444
174389 BDB-kin174562.mol2, BDB-kin174562.pdbqt 332,06 88,53 -5,489 435,53 2,1513 9 1 0 1,8749 0,527651186249934
174390 BDB-kin174563.mol2, BDB-kin174563.pdbqt 343,16 79,74 -5,465 449,557 2,4007 9 0 0 2,2539 0,52465436613323
174393 BDB-kin174564.mol2, BDB-kin174564.pdbqt 371,85 99,14 -5,858 493,562 2,9968 10 0 0 -0,80202 0,303580786916865
174394 BDB-kin174565.mol2, BDB-kin174565.pdbqt 373,31 101,94 -5,722 492,578 2,5226 10 1 0 2,9101 0,472893354218305
174395 BDB-kin174566.mol2, BDB-kin174566.pdbqt 362,31 101,94 -5,344 478,551 2,1979 10 1 0 3,6718 0,530711705802394
174397 BDB-kin174567.mol2, BDB-kin174567.pdbqt 337,64 87,4 -6,786 448,501 3,0902 8 0 0 -4,1855 0,223920954352857
174399 BDB-kin174568.mol2, BDB-kin174568.pdbqt 349,81 105,6 -5,771 463,54 2,208 10 1 0 2,254 0,489346136406029
174407 BDB-kin174569.mol2, BDB-kin174569.pdbqt 365,17 130,73 -9,17 514,605 1,3862 11 1 2 2,102 0,344902753037537
174413 BDB-kin174570.mol2, BDB-kin174570.pdbqt 339,05 92,71 -5,941 460,536 2,0645 9 1 0 2,5134 0,485531022804831
174414 BDB-kin174571.mol2, BDB-kin174571.pdbqt 375,64 118,16 -6,329 512,633 2,4469 10 1 1 3,7206 0,421060266039004
174415 BDB-kin174572.mol2, BDB-kin174572.pdbqt 371,16 92,71 -6,318 494,569 3,0997 9 1 0 1,8617 0,400385430476399
174416 BDB-kin174573.mol2, BDB-kin174573.pdbqt 368,26 121,81 -5,892 503,561 1,4265 11 2 2 2,8818 0,461431568080561
174417 BDB-kin174574.mol2, BDB-kin174574.pdbqt 350,05 105,07 -6,287 473,535 2,0552 10 1 0 2,8204 0,454919429645854
174418 BDB-kin174575.mol2, BDB-kin174575.pdbqt 339,05 92,71 -6,09 460,536 2,2631 9 1 0 2,5483 0,47255831570545
174419 BDB-kin174577.mol2, BDB-kin174577.pdbqt 361,88 118,16 -6,786 498,606 2,2025 10 1 0 4,1653 0,414484664598385
174420 BDB-kin174579.mol2, BDB-kin174579.pdbqt 340,36 98,86 -5,793 450,541 2,4065 9 1 0 1,4574 0,101780467401594
These data are only available for scientific research purposes.