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Records 2341 to 2360 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
222559 BDB-kin222655.mol2, BDB-kin222655.pdbqt 290,48 104,68 -5,253 393,898 2,3731 7 2 0 3,1079 0,605164093555815
222560 BDB-kin222656.mol2, BDB-kin222656.pdbqt 336,74 117,57 -5,965 456,957 3,0809 8 2 0 1,9961 0,456520772533396
222561 BDB-kin222657.mol2, BDB-kin222657.pdbqt 410,32 117,15 -6,201 543,09 3,7116 9 2 1 5,2933 0,37617537849969
222562 BDB-kin222658.mol2, BDB-kin222658.pdbqt 335,1 114,91 -4,689 429,475 1,9021 10 2 0 -0,91482 0,421634696561709
222563 BDB-kin222659.mol2, BDB-kin222659.pdbqt 381,36 127,8 -5,401 492,534 2,6099 11 2 1 -2,0256 0,285200569347667
222564 BDB-kin222660.mol2, BDB-kin222660.pdbqt 406,17 117,15 -7,177 559,064 3,8516 9 2 1 0,65614 0,267185757788314
222565 BDB-kin222661.mol2, BDB-kin222661.pdbqt 412,38 111,16 -6,365 554,117 3,8602 9 2 1 6,261 0,127721982525888
222566 BDB-kin222662.mol2, BDB-kin222662.pdbqt 407,31 133,22 -7,549 557,141 4,1577 8 2 1 2,1782 0,103895198341381
222567 BDB-kin222663.mol2, BDB-kin222663.pdbqt 377,3 156,04 -5,929 498,562 3,2361 11 2 1 -1,0705 0,168433603091078
222568 BDB-kin222664.mol2, BDB-kin222664.pdbqt 450,79 127,38 -6,613 594,642 3,3806 12 2 2 -3,3656 0,17178441777106
222569 BDB-kin222665.mol2, BDB-kin222665.pdbqt 448,43 144,45 -6,281 590,635 2,7136 13 2 2 -0,82994 8,52942854567913E-02
222570 BDB-kin222666.mol2, BDB-kin222666.pdbqt 321,32 117,57 -5,466 422,512 2,3775 8 2 0 1,9423 0,538606554979787
222571 BDB-kin222667.mol2, BDB-kin222667.pdbqt 390,75 117,15 -6,678 524,619 3,1482 9 2 1 0,6023 0,316720752535031
222572 BDB-kin222668.mol2, BDB-kin222668.pdbqt 388,39 134,22 -6,346 520,612 2,4812 10 2 1 3,1591 0,147315124080528
222573 BDB-kin222669.mol2, BDB-kin222669.pdbqt 313,83 101,5 -4,636 406,445 1,8303 9 2 0 1,8379 0,636437766514212
222574 BDB-kin222670.mol2, BDB-kin222670.pdbqt 267,57 88,61 -3,924 343,386 1,1225 8 2 0 2,9694 0,78709484638672
222575 BDB-kin222671.mol2, BDB-kin222671.pdbqt 457 121,39 -5,801 589,695 3,3892 12 2 2 2,162 0,128547070815129
222576 BDB-kin222672.mol2, BDB-kin222672.pdbqt 451,93 143,45 -6,985 592,719 3,6867 11 2 2 -1,6504 6,53041487041866E-02
222577 BDB-kin222673.mol2, BDB-kin222673.pdbqt 444,44 127,38 -6,299 576,652 3,2798 12 2 2 -2,0256 7,24493577151649E-02
222578 BDB-kin227480.mol2, BDB-kin227480.pdbqt 411,14 124,05 -6,095 555,105 3,2107 10 2 1 6,261 0,388748829344132
These data are only available for scientific research purposes.