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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
2591 2591.mol2, BDB-kin2591.pdbqt 261,52 56,03 -2,881 355,396 1,8495 5 1 0 4,464 0,852570799494759
2592 2592.mol2, BDB-kin2592.pdbqt 322,78 56,03 -3,671 431,494 3,207 5 1 0 5,6448 0,703280468874049
2593 2593.mol2, BDB-kin2593.pdbqt 289,04 56,03 -3,156 383,45 2,5599 5 1 0 5,9939 0,804803402535867
2594 2594.mol2, BDB-kin2594.pdbqt 309,02 56,03 -6,507 417,467 3,1791 5 1 0 4,7701 0,473127707124669
2595 2595.mol2, BDB-kin2595.pdbqt 261,52 56,03 -2,905 355,396 1,9035 5 1 0 5,1604 0,853006854483262
2596 2596.mol2, BDB-kin2596.pdbqt 249,26 56,03 -3,471 341,369 2,3806 5 1 0 5,4951 0,821250553193217
2657 2657.mol2, BDB-kin2657.pdbqt 256,3 51,1 -4,165 371,222 2,8893 4 1 0 4,4971 0,728260329163263
2658 2658.mol2, BDB-kin2658.pdbqt 271,72 51,1 -4,901 405,667 3,4953 4 1 0 4,4971 0,104588163792383
2670 2670.mol2, BDB-kin2670.pdbqt 293,79 119,37 -5,495 442,381 3,1704 7 4 0 -3,1465 0,16699934883032
2671 2671.mol2, BDB-kin2671.pdbqt 252,51 99,14 -5,171 384,301 3,0133 6 3 0 -0,47236 0,426550327158146
2672 2672.mol2, BDB-kin2672.pdbqt 224,26 77,75 -6,039 325,326 3,4533 5 3 0 1,53 0,495420176217238
2673 2673.mol2, BDB-kin2673.pdbqt 275,25 99,14 -6,011 418,318 4,1311 6 3 0 -3,0838 0,243288624881117
2674 2674.mol2, BDB-kin2674.pdbqt 280,15 132,64 -4,71 431,378 3,255 6 3 0 -0,081404 0,273708820146796
2675 2675.mol2, BDB-kin2675.pdbqt 276,56 132,64 -4,731 431,378 3,1341 6 3 0 -2,2514 0,339220119888815
2676 2676.mol2, BDB-kin2676.pdbqt 239,82 77,75 -4,335 329,358 2,8377 5 3 0 3,2934 0,729079463609554
2679 2679.mol2, BDB-kin2679.pdbqt 262,26 77,75 -4,291 355,396 2,3797 5 3 0 3,9939 0,739536762745968
2680 2680.mol2, BDB-kin2680.pdbqt 244,09 97,98 -3,259 343,341 1,2382 6 4 0 3,3885 0,840381384173176
2681 2681.mol2, BDB-kin2681.pdbqt 325,36 59,27 -2,279 426,518 1,8534 6 1 0 8,0701 0,810064632762806
2682 2682.mol2, BDB-kin2682.pdbqt 362,88 68,5 -1,905 470,571 1,6106 7 1 0 7,7672 0,763671785915095
2683 2683.mol2, BDB-kin2683.pdbqt 313,47 70,13 -2,616 412,492 1,7206 6 2 0 7,8446 0,818380551877886
These data are only available for scientific research purposes.