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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125428 BDB-kin127412.mol2, BDB-kin127412.pdbqt 368,49 160,73 -4,521 511,609 1,7183 12 2 2 5,9113 0,348596941027533
125429 BDB-kin127413.mol2, BDB-kin127413.pdbqt 375,17 160,73 -2,766 517,588 0,767 12 2 2 4,7533 0,68086215820855
125430 BDB-kin127414.mol2, BDB-kin127414.pdbqt 288,71 131,96 -3,279 385,402 1,4363 9 3 0 -3,1316 0,426857766094742
125431 BDB-kin127415.mol2, BDB-kin127415.pdbqt 271,09 128,8 -3,28 351,369 0,9308 9 2 0 -0,7625 0,56045099116347
125432 BDB-kin127416.mol2, BDB-kin127416.pdbqt 368,82 160,73 -2,452 499,598 0,6662 12 2 1 6,0933 0,717878207742178
125433 BDB-kin127417.mol2, BDB-kin127417.pdbqt 387,51 151,5 -5,293 537,622 2,4456 11 2 2 4,7433 0,285411749044794
125434 BDB-kin127418.mol2, BDB-kin127418.pdbqt 335,96 143,21 -4,296 448,554 2,2552 9 2 0 2,5296 0,385749645348585
125435 BDB-kin127419.mol2, BDB-kin127419.pdbqt 388,83 157,53 -3,897 518,648 2,4168 11 2 2 5,801 0,365433128915324
125436 BDB-kin127420.mol2, BDB-kin127420.pdbqt 377,1 179,74 -4,5 525,66 1,9832 11 2 2 5,7794 0,337858953311423
125437 BDB-kin127421.mol2, BDB-kin127421.pdbqt 334,03 124,2 -4,131 440,481 1,6821 10 2 0 0,87118 0,357926895376762
125438 BDB-kin127422.mol2, BDB-kin127422.pdbqt 388,1 179,74 -4,878 539,687 2,3079 11 2 2 5,1261 0,306546588882867
125439 BDB-kin127423.mol2, BDB-kin127423.pdbqt 386,9 138,52 -3,732 510,576 1,8437 12 2 2 4,1774 0,381218749017514
125440 BDB-kin127424.mol2, BDB-kin127424.pdbqt 401,82 150,5 -4,678 555,637 2,156 12 2 2 4,4944 0,511469197914584
125441 BDB-kin127425.mol2, BDB-kin127425.pdbqt 401,82 150,5 -4,678 555,637 2,156 12 2 2 4,4944 0,511469197914584
125442 BDB-kin127426.mol2, BDB-kin127426.pdbqt 390,82 150,5 -4,3 541,61 1,8313 12 2 2 5,1652 0,561372138658896
125443 BDB-kin127427.mol2, BDB-kin127427.pdbqt 278,21 131,96 -4,934 383,386 1,9019 9 3 0 -0,57858 0,272583058563574
125444 BDB-kin127429.mol2, BDB-kin127429.pdbqt 320,67 123,76 -5,104 412,472 2,2122 9 3 0 0,96114 0,322047534269482
125445 BDB-kin127430.mol2, BDB-kin127430.pdbqt 280,38 137,75 -5,01 382,402 1,5041 9 3 0 -1,3902 0,23942542265291
125446 BDB-kin127431.mol2, BDB-kin127431.pdbqt 318,4 137,75 -5,464 412,472 2,5904 9 3 0 -1,1258 0,216003326276551
125447 BDB-kin127432.mol2, BDB-kin127432.pdbqt 405,84 160,73 -4,892 541,679 2,4963 12 2 2 5,6957 0,303077673896141
These data are only available for scientific research purposes.