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Records 3621 to 3640 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50343242 BDB-kin50343759.mol2, BDB-kin50343759.pdbqt 312,35 105,24 -5,693 404,493 4,9548 6 1 0 -2,9421 0,232610884167308
50343243 BDB-kin50343760.mol2, BDB-kin50343760.pdbqt 314,43 117,71 -3,748 413,501 2,7754 8 1 0 2,9943 0,717382448245734
50343246 BDB-kin50343761.mol2, BDB-kin50343761.pdbqt 307,46 108,04 -5,838 403,509 4,6605 6 2 0 1,9992 0,426893887217881
50343247 BDB-kin50343762.mol2, BDB-kin50343762.pdbqt 312,54 134,34 -5,5 419,464 3,7997 8 2 0 2,0512 0,396183324508571
50343248 BDB-kin50343763.mol2, BDB-kin50343763.pdbqt 323,37 159,79 -5,321 455,518 2,9513 9 2 0 3,3963 0,537055368303561
50343249 BDB-kin50343764.mol2, BDB-kin50343764.pdbqt 334,47 151 -5,431 469,545 2,8565 9 1 0 4,1496 0,521041065180816
50343413 BDB-kin50343765.mol2, BDB-kin50343765.pdbqt 801,2 241,96 -6,716 1030,3 6,3803 17 4 3 -4,1597 0,087978986830662
50343414 BDB-kin50343766.mol2, BDB-kin50343766.pdbqt 814,96 241,96 -6,986 1044,32 6,8347 17 4 3 -3,6745 8,17757101665198E-02
50343415 BDB-kin50343767.mol2, BDB-kin50343767.pdbqt 814,96 241,96 -6,986 1044,32 6,8347 17 4 3 -4,1267 8,10690685725392E-02
50343416 BDB-kin50343768.mol2, BDB-kin50343768.pdbqt 814,96 241,96 -6,986 1044,32 6,8347 17 4 3 -4,5603 8,06278331782416E-02
50343750 BDB-kin50343769.mol2, BDB-kin50343769.pdbqt 352,78 97,84 -5,233 455,557 2,0438 9 2 0 3,5027 0,564804144451589
50343751 BDB-kin50343770.mol2, BDB-kin50343770.pdbqt 323,11 108,84 -4,835 427,503 1,1615 9 3 0 -0,65185 0,436266910257413
50343752 BDB-kin50343771.mol2, BDB-kin50343771.pdbqt 312,11 108,84 -4,457 413,476 0,8368 9 3 0 -1,009 0,446110959768067
50343753 BDB-kin50343772.mol2, BDB-kin50343772.pdbqt 323,11 108,84 -4,835 427,503 1,1615 9 3 0 -0,65185 0,436266910257413
50343754 BDB-kin50343773.mol2, BDB-kin50343773.pdbqt 312,11 108,84 -4,457 413,476 0,8368 9 3 0 -1,009 0,446110959768067
50343755 BDB-kin50343774.mol2, BDB-kin50343774.pdbqt 358,04 108,84 -5,592 469,584 2,3558 9 3 0 2,6624 0,40342153750582
50343756 BDB-kin50343775.mol2, BDB-kin50343775.pdbqt 347,04 108,84 -5,214 455,557 2,0311 9 3 0 2,3042 0,439291419246716
50343757 BDB-kin50343776.mol2, BDB-kin50343776.pdbqt 358,04 108,84 -5,592 469,584 2,3558 9 3 0 2,6624 0,40342153750582
50343758 BDB-kin50343777.mol2, BDB-kin50343777.pdbqt 347,04 108,84 -5,214 455,557 2,0311 9 3 0 2,3042 0,439291419246716
50343759 BDB-kin50343778.mol2, BDB-kin50343778.pdbqt 330,89 127,85 -5,819 441,554 2,9184 8 3 0 2,5656 0,496179711049473
These data are only available for scientific research purposes.