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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
127484 BDB-kin136483.mol2, BDB-kin136483.pdbqt 326,14 131,44 -4,18 458,481 0,5793 11 2 1 6,2033 0,682259714982853
127485 BDB-kin136484.mol2, BDB-kin136484.pdbqt 300,54 94,14 -4,405 414,472 1,4493 9 1 0 7,6152 0,703670065852769
127487 BDB-kin136485.mol2, BDB-kin136485.pdbqt 408,22 120 -6,486 545,642 4,2019 11 2 2 -31,84 0,170913383204633
127488 BDB-kin136486.mol2, BDB-kin136486.pdbqt 314,09 86,72 -3,196 419,488 1,2615 9 1 0 2,6088 0,611818023308717
127489 BDB-kin136487.mol2, BDB-kin136487.pdbqt 298,07 98,24 -5,343 414,468 2,3698 8 2 0 2,541 0,343140905549286
127490 BDB-kin136488.mol2, BDB-kin136488.pdbqt 296,83 111,13 -5,393 415,456 1,6518 9 2 0 2,541 0,34560553300304
127491 BDB-kin136489.mol2, BDB-kin136489.pdbqt 312,63 83,92 -3,332 420,472 1,405 9 0 0 2,0056 0,735700461649102
127492 BDB-kin136490.mol2, BDB-kin136490.pdbqt 273,05 80,68 -3,763 365,392 1,6437 8 0 0 1,5732 0,731488333891916
127493 BDB-kin136491.mol2, BDB-kin136491.pdbqt 286,81 80,68 -4,033 379,419 2,0981 8 0 0 1,4173 0,68572051336553
127494 BDB-kin136492.mol2, BDB-kin136492.pdbqt 337,71 99,1 -4,452 461,52 2,3761 9 1 0 3,6387 0,628522697525918
127495 BDB-kin136493.mol2, BDB-kin136493.pdbqt 326,71 99,1 -4,074 447,494 2,0168 9 1 0 4,6203 0,688574738695992
127496 BDB-kin136494.mol2, BDB-kin136494.pdbqt 318,86 78,87 -4,581 431,495 2,9435 8 0 0 4,5518 0,637387556437786
127497 BDB-kin136495.mol2, BDB-kin136495.pdbqt 337,71 99,1 -4,452 461,52 2,3761 9 1 0 3,6387 0,628522697525918
127498 BDB-kin136496.mol2, BDB-kin136496.pdbqt 326,71 99,1 -4,074 447,494 2,0168 9 1 0 4,6203 0,688574738695992
127499 BDB-kin136497.mol2, BDB-kin136497.pdbqt 318,86 78,87 -4,581 431,495 2,9435 8 0 0 4,5518 0,637387556437786
128471 BDB-kin136498.mol2, BDB-kin136498.pdbqt 236,6 109,39 -6,625 323,375 3,7551 5 2 0 1,4784 0,213122377890562
128533 BDB-kin136499.mol2, BDB-kin136499.pdbqt 202,41 119,2 -5,937 282,326 3,1479 5 2 0 -0,47271 0,143710919482015
128640 BDB-kin136500.mol2, BDB-kin136500.pdbqt 170,63 103,85 -4,237 227,226 1,1518 6 2 0 -1,0686 0,512964489979747
128710 BDB-kin136501.mol2, BDB-kin136501.pdbqt 230,07 98,45 -7,042 307,312 2,0204 7 2 0 2,8125 0,504731448162136
128713 BDB-kin136502.mol2, BDB-kin136502.pdbqt 200,76 122,28 -4,99 274,303 2,5909 6 2 0 2,1792 0,66230781894526
These data are only available for scientific research purposes.