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Records 3841 to 3860 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50387587 BDB-kin50389041.mol2, BDB-kin50389041.pdbqt 205,43 100,79 -2,918 282,306 -0,1378 7 2 0 5,3016 0,907372741919613
50387588 BDB-kin50389042.mol2, BDB-kin50389042.pdbqt 219,19 100,79 -3,188 296,333 0,2042 7 2 0 4,2533 0,882776832529406
50387589 BDB-kin50389043.mol2, BDB-kin50389043.pdbqt 251,88 94,23 -4,363 337,382 1,5911 7 1 0 2,0696 0,720408289286948
50387590 BDB-kin50389044.mol2, BDB-kin50389044.pdbqt 265,64 94,23 -4,633 351,409 1,9331 7 1 0 0,39236 0,576232069494869
50387593 BDB-kin50389045.mol2, BDB-kin50389045.pdbqt 232,95 100,79 -3,458 310,36 0,5462 7 2 0 2,5434 0,832909300597474
50388104 BDB-kin50389048.mol2, BDB-kin50389048.pdbqt 316,92 132,79 -4,565 424,464 -0,6147 11 2 1 2,5356 0,661482853612425
50388105 BDB-kin50389049.mol2, BDB-kin50389049.pdbqt 342,24 136,03 -3,37 453,505 -1,3376 12 2 1 4,7366 0,747058396912293
50388106 BDB-kin50389050.mol2, BDB-kin50389050.pdbqt 325,77 143,79 -5,055 438,49 -0,3028 11 3 1 3,8289 0,614805581144443
50388107 BDB-kin50389051.mol2, BDB-kin50389051.pdbqt 316,42 132,79 -4,071 412,453 -0,6445 11 2 1 3,5082 0,735056435755345
50388108 BDB-kin50389052.mol2, BDB-kin50389052.pdbqt 302,66 132,79 -3,801 398,426 -1,0989 11 2 1 2,1997 0,743406753381399
50388109 BDB-kin50389053.mol2, BDB-kin50389053.pdbqt 328,98 126,8 -3,573 425,495 -0,8522 11 2 1 6,2596 0,770285260943066
50388110 BDB-kin50389054.mol2, BDB-kin50389054.pdbqt 315,22 126,8 -3,303 411,468 -1,3066 11 2 1 5,8125 0,802158652169251
50388111 BDB-kin50389055.mol2, BDB-kin50389055.pdbqt 249,94 137,55 -3,964 340,346 -1,3579 10 2 0 2,785 0,788953793764183
50389035 BDB-kin50389056.mol2, BDB-kin50389056.pdbqt 241,46 83,03 -3,061 314,344 0,3401 7 2 0 2,0237 0,835567105881023
50389036 BDB-kin50389057.mol2, BDB-kin50389057.pdbqt 241,65 79,96 -3,395 330,318 0,9436 7 1 0 0,78604 0,722122073889698
50389037 BDB-kin50389058.mol2, BDB-kin50389058.pdbqt 252,63 73,82 -2,399 343,361 0,7843 7 1 0 1,2006 0,791443890383823
50389038 BDB-kin50389059.mol2, BDB-kin50389059.pdbqt 247,56 79,96 -3,425 326,355 1,1867 7 1 0 2,1029 0,387763864782309
50389039 BDB-kin50389060.mol2, BDB-kin50389060.pdbqt 247,44 82,61 -2,791 325,371 0,7745 7 2 0 1,9334 0,835636226979198
50389040 BDB-kin50389061.mol2, BDB-kin50389061.pdbqt 253,42 71,75 -2,424 343,361 0,6642 7 1 0 1,6052 0,820113997498868
50389041 BDB-kin50389062.mol2, BDB-kin50389062.pdbqt 253,42 71,75 -2,424 343,361 0,6642 7 1 0 1,6052 0,820113997498868
These data are only available for scientific research purposes.