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Records 123941 to 123960 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443134 50443134.mol2, BDB-kin50443134.pdbqt 272,39 101,8 -3,283 336,394 1,9514 6 3 0 -9,2089 0,42372870195385
50443136 50443136.mol2, BDB-kin50443136.pdbqt 293,56 101,8 -3,77 364,448 2,6913 6 3 0 -8,1153 0,388743851730209
50443137 50443137.mol2, BDB-kin50443137.pdbqt 319,06 136,03 -3,756 402,461 2,0482 9 3 0 -5,2897 0,230214457843911
50443138 50443138.mol2, BDB-kin50443138.pdbqt 297,89 136,03 -3,419 374,407 1,4474 9 3 0 -7,845 0,410232965532019
50443139 50443139.mol2, BDB-kin50443139.pdbqt 342,7 136,56 -3,828 455,538 1,3952 9 2 0 -8,7227 0,354683372666641
50443140 50443140.mol2, BDB-kin50443140.pdbqt 369,46 108,28 -2,5 462,596 1,9003 8 3 0 0,83316 0,38587324394923
50443141 50443141.mol2, BDB-kin50443141.pdbqt 314,12 94,04 -2,868 391,474 1,7105 7 2 0 -6,1742 0,416148111589884
50443142 50443142.mol2, BDB-kin50443142.pdbqt 305,3 136,03 -4,906 388,434 1,9858 9 3 0 -5,4607 0,200844969335704
50443143 50443143.mol2, BDB-kin50443143.pdbqt 328,94 136,56 -2,493 441,511 1,1614 9 2 0 -6,2265 0,3979847248672
50443144 50443144.mol2, BDB-kin50443144.pdbqt 296,79 150,11 -3,523 399,474 1,4834 8 3 0 -3,3734 0,245167258924227
50443145 50443145.mol2, BDB-kin50443145.pdbqt 275,62 150,11 -3,186 371,42 0,8826 8 3 0 -6,0628 0,421599315260845
50443146 50443146.mol2, BDB-kin50443146.pdbqt 300,53 124,09 -4,041 398,486 1,7214 7 2 0 -3,891 0,229285382367797
50443147 50443147.mol2, BDB-kin50443147.pdbqt 290,8 101,8 -3,579 364,448 2,4088 6 3 0 -5,8021 0,240635832254031
50443148 50443148.mol2, BDB-kin50443148.pdbqt 283,79 118,87 -3,637 364,404 2,0341 7 3 0 -4,7027 0,243424138760942
50443149 50443149.mol2, BDB-kin50443149.pdbqt 312,26 101,88 -3,267 391,474 2,4247 7 2 0 -3,0076 0,250300629768072
50443150 50443150.mol2, BDB-kin50443150.pdbqt 285,96 124,66 -3,713 363,42 1,8067 7 3 0 -4,2711 0,244267897909593
50443151 50443151.mol2, BDB-kin50443151.pdbqt 264,79 124,66 -3,376 335,366 1,2059 7 3 0 -6,9204 0,426574991627432
50443152 50443152.mol2, BDB-kin50443152.pdbqt 404,39 108,28 -3,269 504,677 3,1528 8 3 1 1,2798 0,342384217029046
50443153 50443153.mol2, BDB-kin50443153.pdbqt 388,2 136,12 -4,387 497,662 2,4111 8 3 0 -5,5648 0,180515262232941
50443154 50443154.mol2, BDB-kin50443154.pdbqt 369,62 102,83 -4,19 449,597 3,2358 7 3 0 -3,6067 0,198822265039636
These data are only available for scientific research purposes.