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Records 3981 to 4000 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50394881 BDB-kin50396301.mol2, BDB-kin50396301.pdbqt 256,73 101,5 -4,13 333,354 2,1239 8 2 0 -0,13631 0,164695987957387
50394882 BDB-kin50396302.mol2, BDB-kin50396302.pdbqt 259,88 95,17 -4,907 341,377 2,8828 7 3 0 0,031853 0,1463482862877
50394883 BDB-kin50396303.mol2, BDB-kin50396303.pdbqt 258,64 108,06 -4,456 342,365 2,0539 8 3 0 3,0828 0,209529920998899
50394884 BDB-kin50396304.mol2, BDB-kin50396304.pdbqt 261,43 105,4 -4,435 371,325 2,3499 7 3 0 -4,7686 0,364108941443896
50394885 BDB-kin50396305.mol2, BDB-kin50396305.pdbqt 250,58 105,4 -4,315 335,345 1,9463 7 3 0 0,92474 0,655631631736085
50394886 BDB-kin50396306.mol2, BDB-kin50396306.pdbqt 244,23 105,4 -4,001 317,355 1,8455 7 3 0 2,2647 0,767253709624592
50394887 BDB-kin50396307.mol2, BDB-kin50396307.pdbqt 227,65 96,95 -3,631 293,329 2,2893 6 3 0 -1,0108 0,530141823271337
50394888 BDB-kin50396308.mol2, BDB-kin50396308.pdbqt 241,08 111,73 -4,165 309,332 1,7027 8 2 0 -0,92606 0,306236524860034
50394889 BDB-kin50396309.mol2, BDB-kin50396309.pdbqt 244,23 105,4 -4,942 317,355 2,4616 7 3 0 -0,81083 0,271823507976595
50394890 BDB-kin50396310.mol2, BDB-kin50396310.pdbqt 242,99 118,29 -4,491 318,343 1,6327 8 3 0 2,2647 0,433508757570714
50394891 BDB-kin50396311.mol2, BDB-kin50396311.pdbqt 226,41 109,84 -4,121 294,317 2,0765 7 3 0 -1,0108 0,303683031346189
50394892 BDB-kin50396312.mol2, BDB-kin50396312.pdbqt 241,69 88,75 -3,314 318,339 3,4596 7 2 0 1,1886 0,422803621542947
50396294 BDB-kin50396313.mol2, BDB-kin50396313.pdbqt 327,93 128,06 -6,48 429,443 1,7867 11 2 1 4,594 0,294933382157801
50396295 BDB-kin50396314.mol2, BDB-kin50396314.pdbqt 364,46 119,85 -6,026 470,539 1,929 11 2 1 5,7738 0,293826876895988
50396296 BDB-kin50396315.mol2, BDB-kin50396315.pdbqt 350,5 114,92 -6,912 453,509 2,5203 10 2 0 4,6413 0,265014088482071
50396297 BDB-kin50396316.mol2, BDB-kin50396316.pdbqt 294,11 148,73 -6,526 388,394 1,26 11 3 1 5,0568 0,312200963454326
50396298 BDB-kin50396317.mol2, BDB-kin50396317.pdbqt 307,88 140,52 -6,142 413,448 1,2409 11 3 1 5,0609 0,319189407567797
50396299 BDB-kin50396318.mol2, BDB-kin50396318.pdbqt 293,62 140,52 -5,539 387,41 0,7448 11 3 1 5,5153 0,364995089298886
50396300 BDB-kin50396319.mol2, BDB-kin50396319.pdbqt 334,87 151,8 -7,711 440,47 2,0645 11 4 1 4,5865 0,258306107032714
50396301 BDB-kin50396320.mol2, BDB-kin50396320.pdbqt 303,18 148,48 -6,733 399,421 1,1955 11 3 1 3,8385 0,298829620115493
These data are only available for scientific research purposes.