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Records 2901 to 2920 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50177662 BDB-kin50267255.mol2, BDB-kin50267255.pdbqt 279,93 117,1 -3,079 382,427 1,0282 10 1 0 -0,67426 0,559449957056105
50177664 BDB-kin50270042.mol2, BDB-kin50270042.pdbqt 292,19 117,1 -3,447 396,454 1,4261 10 1 0 -0,67426 0,534617782144524
50177666 BDB-kin50274385.mol2, BDB-kin50274385.pdbqt 308,39 148,33 -2,966 414,468 -0,2033 11 3 1 0,78119 0,687575453038773
50180636 BDB-kin50294451.mol2, BDB-kin50294451.pdbqt 336,93 151,54 -5,004 467,505 2,7648 10 2 0 3,9065 0,33821197147983
50184766 BDB-kin50300066.mol2, BDB-kin50300066.pdbqt 324,99 104,78 -4,046 419,535 0,7495 9 2 0 8,9047 0,736982527067942
50184767 BDB-kin50300067.mol2, BDB-kin50300067.pdbqt 396,96 123,66 -4,881 510,641 2,2165 11 2 2 -34,36 0,272553444557437
50184769 BDB-kin50300068.mol2, BDB-kin50300068.pdbqt 300,56 76,1 -3,763 379,51 1,5773 7 1 0 9,4266 0,790208371581117
50184770 BDB-kin50300069.mol2, BDB-kin50300069.pdbqt 314,32 76,1 -3,815 393,537 1,772 7 1 0 8,7394 0,771640568135019
50184772 BDB-kin50300070.mol2, BDB-kin50300070.pdbqt 328,08 76,1 -4,085 407,564 2,2264 7 1 0 8,9918 0,728630916082624
50184774 BDB-kin50300071.mol2, BDB-kin50300071.pdbqt 282,85 116,76 -4,847 367,412 0,7942 9 2 0 -8,9306 0,279572351272954
50184807 BDB-kin50300072.mol2, BDB-kin50300072.pdbqt 275,7 84,67 -5,741 370,383 2,1159 7 2 0 -3,4989 0,145203444124596
50193995 BDB-kin50300073.mol2, BDB-kin50300073.pdbqt 246,07 88,91 -3,59 312,376 1,1936 7 1 0 -1,1539 0,526660588056233
50208517 BDB-kin50300074.mol2, BDB-kin50300074.pdbqt 280,01 89,37 -5,621 395,502 4,8128 4 0 0 3,0835 0,453742760844854
50237710 BDB-kin50300075.mol2, BDB-kin50300075.pdbqt 391,19 97,62 -8,55 529,525 5,1058 8 2 2 -4,6352 0,134991318145531
50242737 BDB-kin50300076.mol2, BDB-kin50300076.pdbqt 454,4 110,96 -7,115 641,618 4,3877 8 2 1 5,9457 0,263168417434522
50242742 BDB-kin50300077.mol2, BDB-kin50300077.pdbqt 455,24 111,31 -5,955 614,213 4,599 10 2 1 3,8491 0,116708888789735
50260264 BDB-kin50300078.mol2, BDB-kin50300078.pdbqt 790,84 201,99 -9,086 1013,32 8,9028 14 4 3 2,5033 0,12494313981694
50260265 BDB-kin50300079.mol2, BDB-kin50300079.pdbqt 793,04 208,31 -8,984 1017,35 8,9652 14 6 4 2,2739 7,43113707751954E-02
50261838 BDB-kin50300080.mol2, BDB-kin50300080.pdbqt 297,22 95,59 -6,203 406,509 4,3395 6 1 0 6,2485 0,44749269862858
50267255 BDB-kin50300081.mol2, BDB-kin50300081.pdbqt 298,49 91,57 -5,54 486,26 1,9918 6 3 0 3,6089 0,304769282104359
These data are only available for scientific research purposes.