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Records 125201 to 125220 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50449374 50449374.mol2, BDB-kin50449374.pdbqt 297,74 95,59 -6,394 423,262 3,1926 7 3 0 2,6167 0,461547436482071
50449375 50449375.mol2, BDB-kin50449375.pdbqt 290,93 87,14 -6,412 415,279 3,8247 6 3 0 -0,15839 0,333988606339431
50449376 50449376.mol2, BDB-kin50449376.pdbqt 280,76 87,14 -5,998 401,252 3,2382 6 3 0 -0,10449 0,382695721671996
50449377 50449377.mol2, BDB-kin50449377.pdbqt 254,62 66,91 -5,663 374,296 3,2859 5 2 0 -6,3332 0,281916981241719
50449378 50449378.mol2, BDB-kin50449378.pdbqt 279,11 66,91 -6,821 425,196 4,3971 5 2 0 -6,265 0,200897954445448
50449379 50449379.mol2, BDB-kin50449379.pdbqt 292,2 76,14 -7,066 441,195 5,6383 6 2 1 0,89327 0,160211142055453
50449380 50449380.mol2, BDB-kin50449380.pdbqt 248,41 79,8 -5,248 358,187 2,5479 6 2 0 0,925 0,546897248389924
50449381 50449381.mol2, BDB-kin50449381.pdbqt 256 66,91 -6,357 375,189 3,6496 5 2 0 -0,415 0,34313765086165
50449382 50449382.mol2, BDB-kin50449382.pdbqt 237,86 66,91 -5,513 342,279 2,6392 5 2 0 -0,48318 0,424511869266288
50449383 50449383.mol2, BDB-kin50449383.pdbqt 246,93 66,91 -5,935 358,734 3,1444 5 2 0 -0,415 0,385264369295341
50449384 50449384.mol2, BDB-kin50449384.pdbqt 238,03 66,91 -4,901 336,316 2,376 5 2 0 -6,2059 0,346340042296078
50450311 50450311.mol2, BDB-kin50450311.pdbqt 407,55 196,73 -4,052 563,561 -0,2739 12 7 3 4,059 0,560753114351417
50450412 50450412.mol2, BDB-kin50450412.pdbqt 636,93 342,17 -4,622 872,815 -1,5875 20 10 3 -25,604 0,120768648201904
50450413 50450413.mol2, BDB-kin50450413.pdbqt 584,04 371,27 -1,658 803,709 -5,2083 22 11 3 -29,837 0,251984012458488
50451014 50451014.mol2, BDB-kin50451014.pdbqt 268,61 77,84 -2,678 356,44 2,0034 5 2 0 1,1662 0,759582665299893
50451015 50451015.mol2, BDB-kin50451015.pdbqt 259,33 90,73 -1,387 351,381 0,953 6 2 0 6,0526 0,906943156729779
50451016 50451016.mol2, BDB-kin50451016.pdbqt 282,63 98,07 -2,783 402,853 1,8123 6 3 0 6,6763 0,820787166417169
50451017 50451017.mol2, BDB-kin50451017.pdbqt 260,48 76,82 -3,088 348,401 3,0063 5 3 0 5,0222 0,293582429860898
50451018 50451018.mol2, BDB-kin50451018.pdbqt 260,57 77,84 -2,182 350,393 1,9539 5 2 0 6,0526 0,881096170858158
50453600 50453600.mol2, BDB-kin50453600.pdbqt 290,02 111,05 -3,726 380,399 2,2797 7 5 0 0,71097 0,391026960297419
These data are only available for scientific research purposes.