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Records 1361 to 1380 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
136508 BDB-kin172239.mol2, BDB-kin172239.pdbqt 384,53 179,9 -5,514 570,408 -1,8778 14 2 2 -19,891 0,178630680093522
136510 BDB-kin172240.mol2, BDB-kin172240.pdbqt 336,56 103,33 -7,068 474,43 1,6079 10 0 0 -0,73019 0,228522898205238
136511 BDB-kin172241.mol2, BDB-kin172241.pdbqt 336,56 103,33 -7,068 474,43 1,6079 10 0 0 -0,85668 0,223846121556872
136512 BDB-kin172242.mol2, BDB-kin172242.pdbqt 333,31 137,56 -7,855 476,402 1,5436 11 1 1 -1,7073 0,141057893691504
136513 BDB-kin172243.mol2, BDB-kin172243.pdbqt 378,18 179,9 -5,2 552,418 -1,9786 14 2 2 -19,891 0,195352799284565
136717 BDB-kin172244.mol2, BDB-kin172244.pdbqt 281,25 98,89 -4,726 383,414 2,4745 8 1 0 5,0791 0,325514649078249
136719 BDB-kin172245.mol2, BDB-kin172245.pdbqt 293,51 98,89 -5,094 397,441 2,8724 8 1 0 4,5231 0,295984876468854
136721 BDB-kin172246.mol2, BDB-kin172246.pdbqt 290,46 104,54 -5,195 402,457 2,2678 8 2 0 4,1313 0,295365422834679
136722 BDB-kin172247.mol2, BDB-kin172247.pdbqt 311,92 104,62 -4,459 429,483 1,8411 9 1 0 5,9972 0,325706526470168
136727 BDB-kin172248.mol2, BDB-kin172248.pdbqt 295,87 84,31 -5,508 388,474 3,1415 7 1 0 3,6499 0,272410115014341
136729 BDB-kin172249.mol2, BDB-kin172249.pdbqt 296,83 96,34 -4,839 401,473 2,1544 8 2 0 3,5336 0,312815062232246
136735 BDB-kin172250.mol2, BDB-kin172250.pdbqt 325,68 104,62 -4,759 443,51 2,464 9 1 0 6,5721 0,299723338314696
136742 BDB-kin172251.mol2, BDB-kin172251.pdbqt 336,51 130,07 -5,179 479,564 2,0259 10 1 0 7,4266 0,265915085328114
136746 BDB-kin172252.mol2, BDB-kin172252.pdbqt 321,69 87,55 -4,777 429,526 2,8136 8 1 0 6,8963 0,301092414374959
136747 BDB-kin172253.mol2, BDB-kin172253.pdbqt 350,86 137,66 -5,716 478,511 2,175 12 1 1 2,3039 0,289159327265507
136748 BDB-kin172254.mol2, BDB-kin172254.pdbqt 332,69 87,55 -5,155 443,553 3,1729 8 1 0 5,4931 0,270883652608792
136755 BDB-kin172255.mol2, BDB-kin172255.pdbqt 329,54 107,78 -4,27 445,525 1,8869 9 2 0 6,7502 0,325905290699541
136757 BDB-kin172256.mol2, BDB-kin172256.pdbqt 335,95 87,55 -5,293 455,564 3,1317 8 1 0 7,0048 0,260425460786531
136775 BDB-kin172257.mol2, BDB-kin172257.pdbqt 308,77 98,89 -4,977 411,468 3,3892 8 1 0 5,9495 0,288375903337106
136780 BDB-kin172258.mol2, BDB-kin172258.pdbqt 312,01 120,15 -5,481 420,476 1,6622 10 2 0 4,2474 0,348374983753463
These data are only available for scientific research purposes.