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Records 124941 to 124960 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50448772 50448772.mol2, BDB-kin50448772.pdbqt 293,94 111,11 -5,101 366,424 3,0491 8 3 0 -3,0922 0,330538277710663
50448773 50448773.mol2, BDB-kin50448773.pdbqt 232,7 89,85 -2,585 293,329 2,5488 6 2 0 -2,225 0,485850548147908
50448774 50448774.mol2, BDB-kin50448774.pdbqt 232,7 89,85 -2,839 293,329 2,5307 6 2 0 -2,225 0,480790340866986
50448960 50448960.mol2, BDB-kin50448960.pdbqt 416,75 100,13 -6,157 582,587 6,2667 6 1 2 -3,7104 0,122918765020632
50448961 50448961.mol2, BDB-kin50448961.pdbqt 381,82 100,13 -5,55 540,506 5,0282 6 1 2 1,3246 0,314999444624311
50448962 50448962.mol2, BDB-kin50448962.pdbqt 420,01 100,13 -6,518 594,598 6,074 6 1 2 -5,3611 0,115547636182419
50448963 50448963.mol2, BDB-kin50448963.pdbqt 406,25 100,13 -6,248 580,571 5,732 6 1 2 -4,0805 0,131310696898266
50448964 50448964.mol2, BDB-kin50448964.pdbqt 426,92 100,13 -6,339 596,614 6,6524 6 1 2 -7,3327 0,108607606142246
50448965 50448965.mol2, BDB-kin50448965.pdbqt 416,75 100,13 -6,162 582,587 6,0866 6 1 2 -4,5319 0,124464496878042
50448966 50448966.mol2, BDB-kin50448966.pdbqt 391,99 100,13 -5,732 554,533 5,4139 6 1 2 -3,9127 0,158378437453193
50448967 50448967.mol2, BDB-kin50448967.pdbqt 422,95 100,13 -6,742 622,53 6,3526 6 1 2 -16,399 0,102749497496517
50447836 50447836.mol2, BDB-kin50447836.pdbqt 385,09 106,12 -7,16 519,66 5,5928 6 1 2 -3,5252 0,138634266365253
50447837 50447837.mol2, BDB-kin50447837.pdbqt 320,16 98,66 -6,819 445,581 5,8266 4 2 1 1,2805 0,131764101609109
50447838 50447838.mol2, BDB-kin50447838.pdbqt 307,9 98,66 -6,475 431,555 5,4827 4 2 1 1,3046 0,310095304203225
50447839 50447839.mol2, BDB-kin50447839.pdbqt 315,72 57,53 -8,813 446,972 6,7328 3 2 1 -0,99446 5,55367510973258E-02
50447841 50447841.mol2, BDB-kin50447841.pdbqt 520,42 89,9 -8,525 684,954 9,2174 6 1 2 -8,4389 4,29780537896922E-02
50447842 50447842.mol2, BDB-kin50447842.pdbqt 520,42 89,9 -8,525 684,954 9,2174 6 1 2 -6,4723 4,30350750542061E-02
50447843 50447843.mol2, BDB-kin50447843.pdbqt 412,76 83,83 -6,575 554,809 6,9598 5 2 2 -7,5989 6,62327368873016E-02
50447844 50447844.mol2, BDB-kin50447844.pdbqt 412,76 83,83 -6,575 554,809 6,9598 5 2 2 -3,4832 6,81719403724892E-02
50447863 50447863.mol2, BDB-kin50447863.pdbqt 314,71 92,35 -4,332 418,427 1,9358 7 3 0 3,2413 0,687922963590886
These data are only available for scientific research purposes.