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Records 1481 to 1500 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
172211 BDB-kin174325.mol2, BDB-kin174325.pdbqt 342,04 84,14 -4,164 429,498 3,6202 6 2 0 -1,4696 0,385101149478931
172212 BDB-kin174326.mol2, BDB-kin174326.pdbqt 353,14 75,35 -3,802 443,524 3,8731 6 1 0 3,0471 0,630621999664773
172213 BDB-kin174327.mol2, BDB-kin174327.pdbqt 362,21 75,35 -4,224 459,979 4,3783 6 1 0 4,3867 0,558928313538305
172214 BDB-kin174328.mol2, BDB-kin174328.pdbqt 368,34 61,36 -3,786 457,551 4,1974 6 1 0 3,2668 0,596852200761031
172215 BDB-kin174329.mol2, BDB-kin174329.pdbqt 369,05 84,58 -3,506 455,56 3,7023 7 1 0 4,2755 0,656448077893502
172216 BDB-kin174330.mol2, BDB-kin174330.pdbqt 366,9 75,35 -4,102 457,551 4,2794 6 1 0 3,0809 0,568322610346913
172217 BDB-kin174332.mol2, BDB-kin174332.pdbqt 375,97 75,35 -4,524 474,006 4,7846 6 1 0 4,42 0,492332018676878
172218 BDB-kin174333.mol2, BDB-kin174333.pdbqt 382,1 61,36 -4,086 471,578 4,6037 6 1 0 3,4367 0,533892224069903
172219 BDB-kin174334.mol2, BDB-kin174334.pdbqt 382,81 84,58 -3,806 469,587 4,1086 7 1 0 4,308 0,596506193139823
172220 BDB-kin174336.mol2, BDB-kin174336.pdbqt 367,4 75,35 -4,566 469,562 4,4028 6 1 0 1,7374 0,486135445392507
172221 BDB-kin174337.mol2, BDB-kin174337.pdbqt 404,92 84,58 -4,487 513,615 4,2648 7 1 1 -2,0887 0,275841108887009
172222 BDB-kin174338.mol2, BDB-kin174338.pdbqt 413,99 84,58 -4,909 530,07 4,77 7 1 1 0,016775 0,314497809583708
172223 BDB-kin174339.mol2, BDB-kin174339.pdbqt 420,12 70,59 -4,471 527,642 4,5891 7 1 1 -1,7173 0,266378679453603
172224 BDB-kin174340.mol2, BDB-kin174340.pdbqt 370,89 92,42 -4,084 471,534 3,9298 7 1 0 1,6345 0,54403208870283
172225 BDB-kin174341.mol2, BDB-kin174341.pdbqt 351,08 81,34 -4,154 432,498 3,7022 6 1 0 -0,67905 0,428944013839511
172226 BDB-kin174342.mol2, BDB-kin174342.pdbqt 297,19 46,09 -3,527 355,44 4,0021 4 0 0 -1,4403 0,432392076903577
172227 BDB-kin174343.mol2, BDB-kin174343.pdbqt 301,51 54,88 -4,625 375,858 4,3416 4 1 0 -2,295 0,327331715508452
172228 BDB-kin174344.mol2, BDB-kin174344.pdbqt 339,63 55,32 -4,33 431,922 4,5771 5 0 0 -0,96515 0,359947910435523
172229 BDB-kin174345.mol2, BDB-kin174345.pdbqt 299,8 72,11 -4,074 374,418 3,3791 5 1 0 -2,814 0,378199141574079
172230 BDB-kin174346.mol2, BDB-kin174346.pdbqt 297,77 80,9 -4,858 376,846 3,6178 5 2 0 -2,3323 0,340992925354863
These data are only available for scientific research purposes.