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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50098126 BDB-kin50121212.mol2, BDB-kin50121212.pdbqt 208,66 38,77 -4,952 281,31 2,9828 4 0 0 2,0905 0,41583623125888
50103898 BDB-kin50128285.mol2, BDB-kin50128285.pdbqt 372,6 107,98 -6,958 509,585 4,8903 7 2 1 5,5287 0,189013144678058
50108116 BDB-kin50132260.mol2, BDB-kin50132260.pdbqt 350,15 147,99 -7,061 497,51 1,6724 11 3 1 3,3274 0,324023717410816
50108117 BDB-kin50145412.mol2, BDB-kin50145412.pdbqt 413,49 151,23 -6,32 556,621 1,6551 12 3 2 8,0829 0,238547052074427
50119606 BDB-kin50145414.mol2, BDB-kin50145414.pdbqt 266,33 116,14 -5,933 348,369 1,7371 9 2 0 1,6305 0,322506542400751
50119608 BDB-kin50145416.mol2, BDB-kin50145416.pdbqt 280,09 116,14 -6,233 362,396 2,1434 9 2 0 0,1705 0,253684563950909
50119609 BDB-kin50148942.mol2, BDB-kin50148942.pdbqt 272,68 116,14 -6,247 366,359 1,8379 9 2 0 0,2905 0,258935954730769
50119610 BDB-kin50153090.mol2, BDB-kin50153090.pdbqt 278,67 106,91 -6,891 368,403 2,7726 8 2 0 1,5817 0,162037394907889
50119611 BDB-kin50153091.mol2, BDB-kin50153091.pdbqt 278,67 106,91 -6,996 368,403 2,6501 8 2 0 1,5817 0,215003260665799
50119612 BDB-kin50156495.mol2, BDB-kin50156495.pdbqt 278,67 106,91 -6,891 368,403 2,7726 8 2 0 1,5817 0,216049859877186
50119613 BDB-kin50156498.mol2, BDB-kin50156498.pdbqt 268,24 122,7 -6,259 357,38 1,6671 9 3 0 3,7808 0,328786865763566
50119614 BDB-kin50159620.mol2, BDB-kin50159620.pdbqt 335,98 131,41 -6,214 450,481 1,3634 11 3 1 2,126 0,283292709075485
50119615 BDB-kin50160998.mol2, BDB-kin50160998.pdbqt 329,63 131,41 -5,9 432,491 1,2626 11 3 1 3,466 0,318482679138562
50119616 BDB-kin50160999.mol2, BDB-kin50160999.pdbqt 371,84 122,62 -6,53 492,561 2,3819 11 2 1 4,2002 0,25792694190417
50119617 BDB-kin50161000.mol2, BDB-kin50161000.pdbqt 384,6 131,85 -5,773 508,56 1,5238 12 2 2 4,5517 0,28513711104398
50119618 BDB-kin50161001.mol2, BDB-kin50161001.pdbqt 381,04 142,93 -5,637 503,569 1,5677 13 2 2 5,3673 0,295278760680947
50119619 BDB-kin50161957.mol2, BDB-kin50161957.pdbqt 387,39 142,93 -5,951 521,559 1,6685 13 2 2 4,0273 0,268247108199686
50119620 BDB-kin50172395.mol2, BDB-kin50172395.pdbqt 307,61 136,37 -6,302 406,449 2,013 10 3 0 0,93433 0,267807456713747
50119621 BDB-kin50174275.mol2, BDB-kin50174275.pdbqt 313,96 136,37 -6,616 424,439 2,1138 10 3 0 -0,40567 0,204052314800824
50121212 BDB-kin50174276.mol2, BDB-kin50174276.pdbqt 302,55 61,27 -4,448 443,856 2,3235 7 0 0 -4,4295 0,332596775229276
These data are only available for scientific research purposes.