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Records 1221 to 1240 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
136088 BDB-kin136722.mol2, BDB-kin136722.pdbqt 322,19 87,55 -5,241 441,537 2,937 8 1 0 5,3635 0,271442177191687
136090 BDB-kin136727.mol2, BDB-kin136727.pdbqt 290,46 104,54 -5,195 402,457 2,2678 8 2 0 4,1313 0,295365422834679
136370 BDB-kin136729.mol2, BDB-kin136729.pdbqt 291,71 88,41 -6,596 388,43 2,056 8 1 0 -0,38165 0,287049084988874
136371 BDB-kin136735.mol2, BDB-kin136735.pdbqt 266,95 88,41 -6,166 360,376 1,3833 8 1 0 0,57353 0,461165433079538
136372 BDB-kin136742.mol2, BDB-kin136742.pdbqt 266,95 88,41 -6,166 360,376 1,3833 8 1 0 -4,7287 0,170241006333011
136373 BDB-kin136746.mol2, BDB-kin136746.pdbqt 314,45 88,41 -6,882 422,447 2,5748 8 1 0 -0,36969 0,328409520454769
136374 BDB-kin136747.mol2, BDB-kin136747.pdbqt 290,47 101,3 -6,731 389,418 1,6657 9 1 0 0,07197 0,245825486165937
136375 BDB-kin136748.mol2, BDB-kin136748.pdbqt 296,82 101,3 -7,045 407,408 1,7665 9 1 0 -1,268 0,186944673693424
136376 BDB-kin136755.mol2, BDB-kin136755.pdbqt 302,73 101,3 -7,075 403,445 2,0096 9 1 0 0,07197 0,232032377905472
136377 BDB-kin136757.mol2, BDB-kin136757.pdbqt 352,69 172,67 -5,371 497,407 -4,1465 13 0 1 -20,121 0,169863220013227
136378 BDB-kin136775.mol2, BDB-kin136775.pdbqt 299,11 124,67 -7,712 405,417 1,7701 10 1 0 -0,3331 0,15569465020103
136379 BDB-kin136780.mol2, BDB-kin136780.pdbqt 305,36 139,77 -6,216 421,484 2,2435 9 1 0 0,7535 0,344323095456381
136380 BDB-kin136784.mol2, BDB-kin136784.pdbqt 302,73 101,3 -6,359 403,445 1,8991 9 1 0 0,22837 0,323105188054609
136381 BDB-kin136791.mol2, BDB-kin136791.pdbqt 335,92 130,91 -7,489 449,47 1,574 11 2 1 0,22515 0,1629567517103
136382 BDB-kin136792.mol2, BDB-kin136792.pdbqt 387,79 91,65 -7,439 507,596 3,5135 9 1 1 6,2765 0,36181080419235
136383 BDB-kin136881.mol2, BDB-kin136881.pdbqt 293,17 91,21 -6,46 387,446 1,9125 8 2 0 5,8009 0,520682859718108
136384 BDB-kin136885.mol2, BDB-kin136885.pdbqt 325,88 102,65 -5,891 431,499 1,645 9 2 0 6,5251 0,537293955185018
136385 BDB-kin136886.mol2, BDB-kin136886.pdbqt 339,64 102,65 -6,161 445,525 2,0994 9 2 0 4,5617 0,497342533331728
136386 BDB-kin136892.mol2, BDB-kin136892.pdbqt 341,79 91,65 -6,019 445,525 2,0729 9 1 0 6,3101 0,510594262365042
136387 BDB-kin136900.mol2, BDB-kin136900.pdbqt 296,43 91,21 -7,034 399,457 1,9553 8 2 0 0,52058 0,392486936736487
These data are only available for scientific research purposes.