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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
2597 2597.mol2, BDB-kin2597.pdbqt 260,06 51,1 -4,299 352,392 2,8717 4 1 0 4,464 0,436951162478175
2598 2598.mol2, BDB-kin2598.pdbqt 260,06 51,1 -4,299 352,392 2,8717 4 1 0 4,464 0,728251937463626
2599 2599.mol2, BDB-kin2599.pdbqt 256 79,34 -3,932 358,42 2,5163 4 1 0 4,7215 0,770296154930633
2600 2600.mol2, BDB-kin2600.pdbqt 249,75 64,24 -3,852 342,353 2,1289 5 1 0 4,1687 0,793819224161213
2601 2601.mol2, BDB-kin2601.pdbqt 225,46 51,1 -2,693 302,332 1,6773 4 1 0 4,464 0,892977138741261
2602 2602.mol2, BDB-kin2602.pdbqt 215,03 66,89 -1,717 291,309 0,3998 5 2 0 4,4767 0,934839252170797
2603 2603.mol2, BDB-kin2603.pdbqt 221,4 79,34 -2,593 308,36 1,4617 4 1 0 4,7397 0,898159252711686
2604 2604.mol2, BDB-kin2604.pdbqt 221,4 79,34 -2,703 308,36 1,5439 4 1 0 6,1873 0,895971838144289
2605 2605.mol2, BDB-kin2605.pdbqt 260,28 68,92 -2,931 356,384 1,1315 6 1 0 4,464 0,858613186119516
2606 2606.mol2, BDB-kin2606.pdbqt 276,94 56,03 -3,617 389,841 2,4555 5 1 0 4,4971 0,771462628274076
2607 2607.mol2, BDB-kin2607.pdbqt 273,78 56,03 -3,225 369,423 2,1934 5 1 0 4,3987 0,818328153499346
2608 2608.mol2, BDB-kin2608.pdbqt 270,04 82,05 -2,957 370,411 1,1722 6 2 0 4,4265 0,182790781533492
2609 2609.mol2, BDB-kin2609.pdbqt 267,87 76,26 -2,585 371,395 1,5038 6 2 0 4,4525 0,856735549541387
2610 2610.mol2, BDB-kin2610.pdbqt 283,78 65,26 -2,899 385,422 1,7795 6 1 0 4,4377 0,828894489750026
2611 2611.mol2, BDB-kin2611.pdbqt 345,04 65,26 -4,222 461,52 3,1976 6 1 0 4,1775 0,626874906120611
2612 2612.mol2, BDB-kin2612.pdbqt 291,27 81,33 -3,729 401,489 2,3267 5 1 0 4,5634 0,756677075594389
2613 2613.mol2, BDB-kin2613.pdbqt 296,5 92,31 -2,472 417,488 1,3551 6 1 0 4,6448 0,818093438965296
2614 2614.mol2, BDB-kin2614.pdbqt 285,19 101,85 -3,341 400,393 0,9279 8 1 0 -0,64878 0,541582751091406
2615 2615.mol2, BDB-kin2615.pdbqt 301,53 82,33 -3,022 413,432 1,7625 7 1 0 2,025 0,754360059557106
2616 2616.mol2, BDB-kin2616.pdbqt 285,62 93,33 -2,894 399,405 1,3346 7 2 0 4,303 0,820926268762885
These data are only available for scientific research purposes.