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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439723 50439723.mol2, BDB-kin50439723.pdbqt 335,15 112,38 -6,214 463,527 4,6817 6 2 0 -4,2133 0,197824704729878
50439724 50439724.mol2, BDB-kin50439724.pdbqt 305,69 112,38 -5,436 395,53 3,8334 6 2 0 2,9767 0,53230155188011
50439725 50439725.mol2, BDB-kin50439725.pdbqt 278,17 112,38 -4,896 367,476 2,9246 6 2 0 2,682 0,51066343017357
50439728 50439728.mol2, BDB-kin50439728.pdbqt 211,07 109,14 -4,817 284,342 2,4981 5 2 0 1,106 0,628357281846664
50439729 50439729.mol2, BDB-kin50439729.pdbqt 202,55 83,12 -4,216 269,327 2,824 4 1 0 1,1113 0,680495493472136
50439757 50439757.mol2, BDB-kin50439757.pdbqt 485,69 158,15 -8,783 632,715 4,7037 11 2 2 -3,3868 0,043693515054998
50439758 50439758.mol2, BDB-kin50439758.pdbqt 474,72 112,33 -8,951 623,698 6,7534 8 2 2 1,6705 5,74035067807077E-02
50439759 50439759.mol2, BDB-kin50439759.pdbqt 424,32 97,31 -7,421 537,634 5,0731 9 2 2 2,6116 0,268735177272636
50439760 50439760.mol2, BDB-kin50439760.pdbqt 471,29 97,31 -8,869 599,705 6,5474 9 2 2 2,0223 0,17394297833732
50439761 50439761.mol2, BDB-kin50439761.pdbqt 457,53 97,31 -8,599 585,678 6,093 9 2 2 2,0159 0,190918690587143
50439762 50439762.mol2, BDB-kin50439762.pdbqt 436,63 113,1 -7,287 560,628 4,9316 10 3 1 3,4754 0,27046763117288
50439763 50439763.mol2, BDB-kin50439763.pdbqt 436,75 110,45 -7,921 561,612 5,3438 10 2 2 2,8377 0,143503888899064
50439764 50439764.mol2, BDB-kin50439764.pdbqt 445,82 110,2 -7,444 572,639 5,1542 10 2 2 2,8511 0,248486986006855
50439765 50439765.mol2, BDB-kin50439765.pdbqt 483,84 97,31 -9,271 613,732 7,1868 9 2 2 2,8013 0,163093011151311
50439766 50439766.mol2, BDB-kin50439766.pdbqt 469,32 106,54 -8,257 601,677 6,0851 10 2 2 2,8511 0,193934292446645
50439896 50439896.mol2, BDB-kin50439896.pdbqt 376,75 99,35 -7,475 513,616 4,3384 7 1 1 5,0851 0,117079400978355
50439897 50439897.mol2, BDB-kin50439897.pdbqt 475,11 128,37 -8,426 646,77 5,1727 10 1 2 7,5254 7,75222103301169E-02
50439898 50439898.mol2, BDB-kin50439898.pdbqt 451,79 117,81 -7,317 601,722 4,1534 9 1 1 3,6617 6,06392428393257E-02
50439899 50439899.mol2, BDB-kin50439899.pdbqt 389,43 134,16 -7,706 528,631 3,1537 8 3 1 1,0906 6,61437791410391E-02
50439767 50439767.mol2, BDB-kin50439767.pdbqt 470,73 143,13 -8,699 616,648 4,307 12 2 2 -2,2037 0,140491549416403
These data are only available for scientific research purposes.