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Records 125261 to 125280 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50453579 50453579.mol2, BDB-kin50453579.pdbqt 286,86 118,06 -3,383 381,364 1,8288 7 4 0 -37,3 0,405753749085928
50453580 50453580.mol2, BDB-kin50453580.pdbqt 231,06 99,02 -2,217 303,313 1,5987 6 4 0 -5,5082 0,458855606785881
50453581 50453581.mol2, BDB-kin50453581.pdbqt 304,51 99,02 -3,859 387,474 4,3725 6 4 0 -7,3428 0,325837987320679
50453582 50453582.mol2, BDB-kin50453582.pdbqt 215,15 110,02 -2,089 289,286 1,1708 6 5 0 -0,23892 0,668583316273549
50453583 50453583.mol2, BDB-kin50453583.pdbqt 335,62 99,02 -4,492 415,528 5,1699 6 4 1 -2,481 0,165818787320748
50453584 50453584.mol2, BDB-kin50453584.pdbqt 263,69 111,05 -3,19 346,382 2,0078 7 5 0 -8,0244 0,253723749655737
50453585 50453585.mol2, BDB-kin50453585.pdbqt 335,16 99,35 -4,651 413,512 5,4786 6 3 1 -2,6286 0,152609577089439
50453586 50453586.mol2, BDB-kin50453586.pdbqt 299,4 99,02 -5,187 401,417 4,3125 6 4 0 -0,15624 0,390213676482933
50453587 50453587.mol2, BDB-kin50453587.pdbqt 276,99 111,38 -3,314 358,393 2,3146 7 4 0 -8,0118 0,41186504891667
50453588 50453588.mol2, BDB-kin50453588.pdbqt 230,6 99,35 -2,376 301,297 1,9074 6 3 0 -5,6735 0,454224622434916
50453589 50453589.mol2, BDB-kin50453589.pdbqt 303,78 111,05 -3,691 394,426 2,2778 7 5 0 0,82883 0,392275074695329
50453590 50453590.mol2, BDB-kin50453590.pdbqt 277,45 111,05 -3,155 360,409 2,0059 7 5 0 -7,8597 0,419067053841145
50453591 50453591.mol2, BDB-kin50453591.pdbqt 286,4 118,39 -3,542 379,348 2,1375 7 3 0 -37,501 0,398643578302865
50453592 50453592.mol2, BDB-kin50453592.pdbqt 303,08 99,02 -4,263 393,438 3,7065 6 4 0 -0,11614 0,490223202744872
50453593 50453593.mol2, BDB-kin50453593.pdbqt 244,36 99,35 -2,676 315,324 2,3137 6 3 0 -10,514 0,439753805534016
50453594 50453594.mol2, BDB-kin50453594.pdbqt 264,8 99,02 -3,581 351,357 3,1181 6 4 0 -0,15624 0,571489541232072
50453595 50453595.mol2, BDB-kin50453595.pdbqt 305,06 99,02 -4,092 391,422 3,7799 6 4 0 0,16442 0,313282427578539
50453596 50453596.mol2, BDB-kin50453596.pdbqt 315,58 99,02 -4,446 407,465 4,2057 6 4 0 -0,17357 0,440495356523152
50453597 50453597.mol2, BDB-kin50453597.pdbqt 299,4 99,02 -5,187 401,417 4,3125 6 4 0 -0,15624 0,390213676482933
50453598 50453598.mol2, BDB-kin50453598.pdbqt 214,69 110,35 -2,248 287,27 1,4795 6 4 0 -0,40672 0,644941039217051
These data are only available for scientific research purposes.