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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
222659 BDB-kin245509.mol2, BDB-kin245509.pdbqt 321,32 117,57 -5,466 422,512 2,3775 8 2 0 1,9423 0,538606554979787
222660 BDB-kin245510.mol2, BDB-kin245510.pdbqt 433,38 172,12 -8,331 591,715 3,1764 11 3 2 2,9977 0,105690185694383
222661 BDB-kin245511.mol2, BDB-kin245511.pdbqt 379,84 130,46 -6,449 499,597 3,1268 9 2 0 1,9423 0,390785929136524
222662 BDB-kin245512.mol2, BDB-kin245512.pdbqt 381,08 117,57 -7,244 498,609 4,1277 8 2 0 1,9423 0,329326942024484
222663 BDB-kin245513.mol2, BDB-kin245513.pdbqt 336,74 117,57 -5,965 456,957 3,0809 8 2 0 1,9961 0,456520772533396
222664 BDB-kin245514.mol2, BDB-kin245514.pdbqt 405,49 143,6 -4,637 554,626 1,874 12 2 2 4,5782 0,519401093847919
222665 BDB-kin245515.mol2, BDB-kin245515.pdbqt 313,83 101,5 -4,636 406,445 1,8303 9 2 0 1,8379 0,636437766514212
222666 BDB-kin245516.mol2, BDB-kin245516.pdbqt 329,25 101,5 -5,135 440,89 2,5337 9 2 0 1,8912 0,549749673013729
222667 BDB-kin245517.mol2, BDB-kin245517.pdbqt 347,34 117,57 -6,037 450,565 2,8253 8 2 0 2,4997 0,473471106517645
222668 BDB-kin245519.mol2, BDB-kin245519.pdbqt 333,58 117,57 -5,737 436,539 2,419 8 2 0 3,0622 0,524916427013521
222669 BDB-kin245520.mol2, BDB-kin245520.pdbqt 390,93 113,97 -4,126 505,577 1,4991 11 2 2 2,7548 0,604560181802663
222670 BDB-kin245521.mol2, BDB-kin245521.pdbqt 326,43 130,71 -6,382 446,918 2,8435 9 2 0 3,437 0,463421656301676
222671 BDB-kin245522.mol2, BDB-kin245522.pdbqt 418,05 137,61 -5,738 567,669 2,2282 12 2 2 2,7954 0,146796305066061
222672 BDB-kin245523.mol2, BDB-kin245523.pdbqt 343,01 101,5 -5,435 454,917 2,94 9 2 0 0,4201 0,429906887791578
222673 BDB-kin245524.mol2, BDB-kin245524.pdbqt 343,01 101,5 -5,435 454,917 2,94 9 2 0 0,4201 0,429906887791578
227480 BDB-kin245525.mol2, BDB-kin245525.pdbqt 297,91 92,29 -4,468 395,465 1,4203 9 1 0 1,7785 0,663077378565129
227481 BDB-kin245526.mol2, BDB-kin245526.pdbqt 287,48 108,08 -3,836 384,443 0,3148 10 2 0 3,096 0,772249447219298
227482 BDB-kin245527.mol2, BDB-kin245527.pdbqt 326,08 95,19 -5,988 433,514 2,3869 9 2 0 0,53 0,422552804087215
227483 BDB-kin245528.mol2, BDB-kin245528.pdbqt 347,24 108,08 -6,531 460,54 2,1334 10 2 0 1,8401 0,431373158320445
227484 BDB-kin245529.mol2, BDB-kin245529.pdbqt 329,67 95,19 -6,41 451,504 2,4704 9 2 0 0,5358 0,385523414338343
These data are only available for scientific research purposes.