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Records 2781 to 2800 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50073145 BDB-kin50078835.mol2, BDB-kin50078835.pdbqt 322,2 154,48 -4,741 451,462 2,8908 10 2 0 4,1049 0,602375840242718
50073146 BDB-kin50086441.mol2, BDB-kin50086441.pdbqt 408,23 116,72 -5,292 523,599 4,9658 11 1 2 -0,73431 3,30241292296301E-02
50073147 BDB-kin50089299.mol2, BDB-kin50089299.pdbqt 362,81 95,81 -5,47 486,574 6,2596 7 1 1 2,4367 0,312407828397947
50073148 BDB-kin50089300.mol2, BDB-kin50089300.pdbqt 321,77 163 -6,02 452,45 2,558 11 1 1 -0,85038 0,323262610981449
50078820 BDB-kin50089301.mol2, BDB-kin50089301.pdbqt 137,18 66,76 -1,507 192,17 0,8842 4 2 0 -7,1335 0,289874047728547
50078821 BDB-kin50089302.mol2, BDB-kin50089302.pdbqt 120,98 17,82 -1,351 144,177 0,8284 2 0 0 3,3033 0,95581329150127
50078822 BDB-kin50089303.mol2, BDB-kin50089303.pdbqt 117,63 67,35 -1,795 147,141 0,0161 5 1 0 -0,13186 0,711680673455249
50078823 BDB-kin50089304.mol2, BDB-kin50089304.pdbqt 120,11 41,57 -2,711 145,165 1,0725 3 1 0 1,7285 0,867448934060758
50078824 BDB-kin50089305.mol2, BDB-kin50089305.pdbqt 121,35 28,68 -2,576 144,177 1,4628 2 1 0 -0,047204 0,698887023883727
50078825 BDB-kin50089317.mol2, BDB-kin50089317.pdbqt 173,06 54,55 -2,949 233,29 1,9587 3 1 0 -6,64 0,271400451293314
50078826 BDB-kin50089318.mol2, BDB-kin50089318.pdbqt 121,47 26,03 -2,491 145,161 1,8201 2 0 0 0,2675 0,733575801024456
50078827 BDB-kin50089319.mol2, BDB-kin50089319.pdbqt 154,71 41,57 -3,177 195,224 1,9013 3 1 0 -0,13417 0,659146614770948
50078828 BDB-kin50089320.mol2, BDB-kin50089320.pdbqt 181,1 54,55 -2,743 239,338 2,3407 3 1 0 -10,834 0,21651551637888
50078829 BDB-kin50089321.mol2, BDB-kin50089321.pdbqt 148,51 43,37 -1,761 182,218 1,3356 3 0 0 -5,3079 0,481572202382931
50078830 BDB-kin50089328.mol2, BDB-kin50089328.pdbqt 130,83 46,53 -1,803 176,171 1,2299 3 1 0 -7,1335 0,480166289418017
50078831 BDB-kin50089329.mol2, BDB-kin50089329.pdbqt 121,35 28,68 -1,967 144,177 1,3034 2 1 0 1,3013 0,856002502734497
50078832 BDB-kin50092766.mol2, BDB-kin50092766.pdbqt 175,76 88,54 -1,546 229,299 0,3127 4 1 0 -0,83848 0,375660589972003
50078833 BDB-kin50092767.mol2, BDB-kin50092767.pdbqt 186,82 29,54 -2,735 231,294 2,2846 3 0 0 -4,5644 0,457533636429179
50078834 BDB-kin50092768.mol2, BDB-kin50092768.pdbqt 154,71 41,57 -2,869 195,224 1,9923 3 1 0 -0,13417 0,669475883547445
50078835 BDB-kin50092769.mol2, BDB-kin50092769.pdbqt 118,87 54,46 -2,898 146,153 0,926 4 1 0 -0,13186 0,682944134356814
These data are only available for scientific research purposes.