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Records 3421 to 3440 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50327897 BDB-kin50328591.mol2, BDB-kin50328591.pdbqt 214,19 113,15 -2,893 285,31 -0,3653 8 2 0 3,488 0,896746158757858
50327898 BDB-kin50328592.mol2, BDB-kin50328592.pdbqt 212,95 126,04 -2,882 286,298 -0,7197 9 2 0 -1,4294 0,543507773391422
50327899 BDB-kin50328593.mol2, BDB-kin50328593.pdbqt 246,88 106,59 -4,044 326,359 0,9676 8 1 0 2,1378 0,763882767146879
50327900 BDB-kin50328594.mol2, BDB-kin50328594.pdbqt 246,88 106,59 -4,044 326,359 0,9676 8 1 0 2,1378 0,763882767146879
50327901 BDB-kin50328595.mol2, BDB-kin50328595.pdbqt 245,64 119,48 -3,581 327,347 0,4234 9 1 0 2,1378 0,803057608961505
50327902 BDB-kin50328596.mol2, BDB-kin50328596.pdbqt 246,88 106,59 -4,044 326,359 0,9676 8 1 0 2,1378 0,763882767146879
50327903 BDB-kin50328597.mol2, BDB-kin50328597.pdbqt 310,27 126,82 -4,287 410,476 0,9296 9 2 0 2,157 0,685571459902736
50327904 BDB-kin50328598.mol2, BDB-kin50328598.pdbqt 241,21 122,38 -2,9 327,347 -0,7392 9 2 0 1,0707 0,777398581591115
50327905 BDB-kin50328599.mol2, BDB-kin50328599.pdbqt 282,75 126,82 -4,541 382,423 0,9056 9 2 0 2,935 0,703168867558099
50327906 BDB-kin50328600.mol2, BDB-kin50328600.pdbqt 263,9 106,59 -3,876 352,397 0,7102 8 1 0 -0,33285 0,572749168935807
50327907 BDB-kin50328601.mol2, BDB-kin50328601.pdbqt 272,75 117,59 -4,366 366,424 1,0221 8 2 0 2,8923 0,730756725711386
50328085 BDB-kin50328602.mol2, BDB-kin50328602.pdbqt 300,13 111,14 -6,5 419,464 1,6791 8 1 0 4,0184 0,297862297879669
50328584 BDB-kin50328603.mol2, BDB-kin50328603.pdbqt 435,92 69,64 -8,841 607,634 6,5509 7 0 2 -1,1575 6,77618751806034E-02
50328585 BDB-kin50328604.mol2, BDB-kin50328604.pdbqt 386,66 81,59 -7,544 543,548 5,7695 7 2 2 -1,1146 5,80091880553786E-02
50328586 BDB-kin50328605.mol2, BDB-kin50328605.pdbqt 430,09 70,59 -7,248 585,628 6,1202 7 1 2 -0,8262 8,43694459899094E-02
50328587 BDB-kin50328606.mol2, BDB-kin50328606.pdbqt 442,65 64,6 -6,75 598,671 5,9125 7 1 2 1,7592 0,126685616379363
50328588 BDB-kin50328607.mol2, BDB-kin50328607.pdbqt 393,31 61,36 -8,651 551,571 5,7869 6 1 2 -4,682 6,87717138249535E-02
50328589 BDB-kin50328608.mol2, BDB-kin50328608.pdbqt 382,21 57,7 -7,963 530,549 5,4009 6 1 2 -4,6862 7,83972320603715E-02
50328590 BDB-kin50328609.mol2, BDB-kin50328609.pdbqt 390,49 76,71 -9,184 556,611 6,3099 5 1 2 -4,1397 3,75864389338674E-02
50328591 BDB-kin50328610.mol2, BDB-kin50328610.pdbqt 441,19 99,07 -10,431 638,737 8,2961 5 1 2 -4,4024 4,57620737904779E-02
These data are only available for scientific research purposes.