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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
136428 BDB-kin150997.mol2, BDB-kin150997.pdbqt 323,97 110,67 -6,423 433,471 1,1637 10 1 0 0,46593 0,257845664989645
136429 BDB-kin150998.mol2, BDB-kin150998.pdbqt 359,96 98,55 -6,494 489,557 2,0993 10 1 0 6,1387 0,352577435229874
136430 BDB-kin150999.mol2, BDB-kin150999.pdbqt 321,25 101,3 -7,627 429,483 2,3371 9 1 0 -4,1136 0,178345741497533
136431 BDB-kin151000.mol2, BDB-kin151000.pdbqt 327,6 101,3 -7,941 447,473 2,4379 9 1 0 -5,4536 0,168044921011788
136432 BDB-kin151001.mol2, BDB-kin151001.pdbqt 282,91 101,3 -7,041 415,334 1,4773 9 1 0 -7,4002 0,190700561944463
136433 BDB-kin151002.mol2, BDB-kin151002.pdbqt 313,21 101,3 -7,017 423,435 2,1845 9 1 0 0,11162 0,284496127947176
136434 BDB-kin151003.mol2, BDB-kin151003.pdbqt 279,97 101,3 -7,035 387,402 1,3665 9 1 0 -1,9204 0,222849712635927
136435 BDB-kin151004.mol2, BDB-kin151004.pdbqt 381,59 110,58 -5,587 500,609 1,3004 11 2 2 7,2676 0,321322271991759
136436 BDB-kin151005.mol2, BDB-kin151005.pdbqt 392,69 101,79 -5,225 514,636 1,5533 11 1 2 11,033 0,414053878673731
136437 BDB-kin151006.mol2, BDB-kin151006.pdbqt 304,23 101,3 -7,001 403,445 2,1201 9 1 0 0,53148 0,312674456184373
136438 BDB-kin151007.mol2, BDB-kin151007.pdbqt 311,97 114,19 -6,246 424,423 1,2376 10 1 0 0,11162 0,316442175806263
136439 BDB-kin151008.mol2, BDB-kin151008.pdbqt 318,32 114,19 -6,56 442,413 1,3384 10 1 0 -1,2284 0,236834410714551
136440 BDB-kin151009.mol2, BDB-kin151009.pdbqt 319,56 101,3 -7,331 441,425 2,2853 9 1 0 -1,2284 0,215887979798179
136441 BDB-kin151010.mol2, BDB-kin151010.pdbqt 299,58 101,3 -7,155 407,408 2,0026 9 1 0 -2,6918 0,200819157630022
136442 BDB-kin151011.mol2, BDB-kin151011.pdbqt 362,62 107,34 -7,096 489,557 2,0322 10 2 0 2,4679 0,318529589665123
136443 BDB-kin151012.mol2, BDB-kin151012.pdbqt 398,48 98,55 -7,412 531,638 3,0507 10 1 1 7,1219 0,285295208652896
136444 BDB-kin151013.mol2, BDB-kin151013.pdbqt 279,47 101,3 -6,571 375,391 1,4474 9 1 0 0,52048 0,205020550980891
136445 BDB-kin151014.mol2, BDB-kin151014.pdbqt 293,23 101,3 -6,841 389,418 1,9018 9 1 0 -1,3518 0,240096566571634
136446 BDB-kin151015.mol2, BDB-kin151015.pdbqt 326,97 101,3 -7,436 437,462 2,4349 9 1 0 0,51122 0,284328716245173
136447 BDB-kin151016.mol2, BDB-kin151016.pdbqt 285,82 101,3 -6,885 393,381 1,5482 9 1 0 -0,81952 0,155631494068279
These data are only available for scientific research purposes.