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Records 2001 to 2020 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
174768 BDB-kin178358.mol2, BDB-kin178358.pdbqt 371,05 115,93 -6,41 514,531 2,4105 10 1 1 -0,84902 0,273169851760297
178216 BDB-kin178359.mol2, BDB-kin178359.pdbqt 362,42 108,92 -5,56 498,557 2,7973 10 2 0 2,3146 0,465382855229098
178217 BDB-kin178360.mol2, BDB-kin178360.pdbqt 361,92 108,92 -5,096 486,546 2,7658 10 2 0 1,9986 0,508604673533681
178218 BDB-kin178361.mol2, BDB-kin178361.pdbqt 375,68 108,92 -5,396 500,573 3,1721 10 2 1 1,3994 0,440502068480966
178219 BDB-kin178362.mol2, BDB-kin178362.pdbqt 415,66 120,95 -6,109 567,664 2,9536 11 3 2 -1,6271 0,223887834184425
178220 BDB-kin178363.mol2, BDB-kin178363.pdbqt 468,27 138,46 -6,644 639,726 3,8727 13 2 2 -3,6438 0,151314559327439
178221 BDB-kin178364.mol2, BDB-kin178364.pdbqt 444,51 129,23 -6,029 609,701 3,2632 12 2 2 2,8443 0,344218755501391
178222 BDB-kin178365.mol2, BDB-kin178365.pdbqt 395,43 146,22 -5,291 538,603 2,2809 12 3 2 1,9983 0,450872150030224
178223 BDB-kin178366.mol2, BDB-kin178366.pdbqt 423,9 129,23 -4,921 565,673 2,5011 12 2 2 3,6624 0,473757628800598
178224 BDB-kin178367.mol2, BDB-kin178367.pdbqt 391,44 129,15 -5,309 524,62 2,6305 11 3 2 0,11332 0,371343854192226
178225 BDB-kin178368.mol2, BDB-kin178368.pdbqt 369,83 108,92 -5,546 494,594 3,1028 10 2 0 3,0463 0,473312958729674
178226 BDB-kin178369.mol2, BDB-kin178369.pdbqt 361,92 108,92 -5,096 486,546 2,7658 10 2 0 1,9986 0,508604673533681
178227 BDB-kin178370.mol2, BDB-kin178370.pdbqt 408,18 121,81 -5,808 549,605 3,4736 11 2 2 1,0769 0,352464143532106
178228 BDB-kin178371.mol2, BDB-kin178371.pdbqt 484,32 115,4 -6,672 658,776 4,2844 12 2 2 5,0056 9,80763038006294E-02
178229 BDB-kin178372.mol2, BDB-kin178372.pdbqt 407,85 118,15 -5,931 550,658 3,0882 11 2 2 -1,6565 0,235414115576113
178230 BDB-kin178373.mol2, BDB-kin178373.pdbqt 442,3 144,18 -7,128 603,678 3,5502 13 2 2 -2,8049 0,129519616383527
178231 BDB-kin178374.mol2, BDB-kin178374.pdbqt 441,81 135,97 -6,43 602,694 2,8043 13 2 2 -0,079025 0,257054594065767
178232 BDB-kin178375.mol2, BDB-kin178375.pdbqt 368,59 121,81 -5,276 495,582 2,4533 11 2 1 3,0463 0,510018958842067
178233 BDB-kin178376.mol2, BDB-kin178376.pdbqt 438,77 118,15 -7,375 608,644 4,5746 11 2 2 -0,10458 0,194660894666804
178234 BDB-kin178377.mol2, BDB-kin178377.pdbqt 416,27 108,92 -7,381 578,618 4,6068 10 2 1 1,3795 0,24932925720811
These data are only available for scientific research purposes.