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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
2617 2617.mol2, BDB-kin2617.pdbqt 287,79 99,12 -2,97 398,421 0,9368 7 2 0 4,8033 0,824096231684243
2618 2618.mol2, BDB-kin2618.pdbqt 302,99 85,13 -3,223 412,448 1,5532 7 2 0 4,902 0,304161866806616
2619 2619.mol2, BDB-kin2619.pdbqt 276,94 56,03 -3,617 389,841 2,4555 5 1 0 4,4971 0,462877576964445
2620 2620.mol2, BDB-kin2620.pdbqt 270,04 82,05 -2,957 370,411 1,1722 6 2 0 4,4265 0,30465130255582
2621 2621.mol2, BDB-kin2621.pdbqt 283,78 65,26 -2,899 385,422 1,7795 6 1 0 4,4377 0,828894489750026
2622 2622.mol2, BDB-kin2622.pdbqt 285,19 101,85 -3,341 400,393 0,9279 8 1 0 -0,64878 0,541582751091406
2623 2623.mol2, BDB-kin2623.pdbqt 285,62 93,33 -2,894 399,405 1,3346 7 2 0 4,303 0,820926268762885
2624 2624.mol2, BDB-kin2624.pdbqt 287,79 99,12 -2,97 398,421 0,9368 7 2 0 4,8033 0,824096231684243
2625 2625.mol2, BDB-kin2625.pdbqt 302,99 85,13 -3,223 412,448 1,5532 7 2 0 4,902 0,228121400104962
2626 2626.mol2, BDB-kin2626.pdbqt 273,78 56,03 -3,225 369,423 2,1934 5 1 0 4,3987 0,490996892099607
2627 2627.mol2, BDB-kin2627.pdbqt 270,04 82,05 -2,957 370,411 1,1722 6 2 0 4,4265 0,507752170926366
2628 2628.mol2, BDB-kin2628.pdbqt 283,78 65,26 -2,899 385,422 1,7795 6 1 0 4,4377 0,828894489750026
2629 2629.mol2, BDB-kin2629.pdbqt 285,19 101,85 -3,341 400,393 0,9279 8 1 0 -0,64878 0,541582751091406
2630 2630.mol2, BDB-kin2630.pdbqt 302,99 85,13 -3,223 412,448 1,5532 7 2 0 4,902 0,792088194808897
2631 2631.mol2, BDB-kin2631.pdbqt 273,78 56,03 -3,225 369,423 2,1934 5 1 0 4,3987 0,490996892099607
2632 2632.mol2, BDB-kin2632.pdbqt 283,78 65,26 -2,899 385,422 1,7795 6 1 0 4,4377 0,66311559180002
2633 2633.mol2, BDB-kin2633.pdbqt 285,19 101,85 -3,341 400,393 0,9279 8 1 0 -0,64878 0,541582751091406
2634 2634.mol2, BDB-kin2634.pdbqt 273,78 56,03 -3,249 369,423 2,2474 5 1 0 5,421 0,818932141003267
2635 2635.mol2, BDB-kin2635.pdbqt 291,27 81,33 -3,492 401,489 2,4241 5 1 0 4,752 0,770989110007629
2636 2636.mol2, BDB-kin2636.pdbqt 296,5 92,31 -2,235 417,488 1,4525 6 1 0 4,8328 0,823938492959709
These data are only available for scientific research purposes.