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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
127416 BDB-kin136423.mol2, BDB-kin136423.pdbqt 320,24 107,81 -3,359 435,486 1,1727 10 1 0 6,134 0,7647818978724
127417 BDB-kin136424.mol2, BDB-kin136424.pdbqt 316,38 104,65 -3,848 433,471 1,7498 10 0 0 4,5518 0,725702138033719
127418 BDB-kin136425.mol2, BDB-kin136425.pdbqt 287,53 96,37 -3,928 391,434 1,4402 9 1 0 1,5559 0,701539620989241
127419 BDB-kin136426.mol2, BDB-kin136426.pdbqt 301,33 77,49 -4,409 403,489 1,9508 8 1 0 1,8397 0,658742627142558
127420 BDB-kin136427.mol2, BDB-kin136427.pdbqt 299,57 97,03 -6,075 410,48 2,7192 7 2 0 -0,50897 0,358990843644759
127421 BDB-kin136428.mol2, BDB-kin136428.pdbqt 330,18 85,77 -4,329 445,525 2,2604 9 0 0 4,8209 0,665156635135991
127422 BDB-kin136429.mol2, BDB-kin136429.pdbqt 341,64 97,8 -4,508 460,54 1,9894 10 1 0 5,0213 0,637334805847689
127423 BDB-kin136430.mol2, BDB-kin136430.pdbqt 326,44 111,79 -4,592 446,513 1,6379 10 1 0 4,8269 0,648637652189311
127424 BDB-kin136431.mol2, BDB-kin136431.pdbqt 334,04 88,93 -3,84 447,541 1,6833 9 1 0 6,4038 0,714272243962452
127425 BDB-kin136432.mol2, BDB-kin136432.pdbqt 254,62 87,24 -3,352 350,381 0,741 8 1 0 -0,45764 0,588250321782597
127426 BDB-kin136433.mol2, BDB-kin136433.pdbqt 277,31 71,45 -4,352 375,431 2,2444 7 0 0 -2,6727 0,388539812897426
127427 BDB-kin136434.mol2, BDB-kin136434.pdbqt 286,07 93,57 -4,064 392,418 1,5837 9 0 0 -2,5591 0,404240880976654
127429 BDB-kin136435.mol2, BDB-kin136435.pdbqt 266,51 76,38 -3,546 364,408 0,9097 8 0 0 -0,047743 0,61318025429069
127430 BDB-kin136436.mol2, BDB-kin136436.pdbqt 299,87 74,69 -4,545 404,473 2,0943 8 0 0 -2,2781 0,37726234503252
127431 BDB-kin136437.mol2, BDB-kin136437.pdbqt 365,11 85,77 -4,936 487,606 3,4989 9 0 0 0,52021 0,430779619456556
127432 BDB-kin136438.mol2, BDB-kin136438.pdbqt 349,95 77,93 -3,968 461,568 2,1112 9 0 0 6,1772 0,681522158552837
127433 BDB-kin136439.mol2, BDB-kin136439.pdbqt 312,43 68,7 -4,047 417,515 2,2037 8 0 0 6,2984 0,722165812100699
127434 BDB-kin136440.mol2, BDB-kin136440.pdbqt 288,12 96,61 -3,044 394,434 0,239 9 1 0 0,56479 0,680744187817637
127435 BDB-kin136441.mol2, BDB-kin136441.pdbqt 359,2 106 -4,309 489,578 2,0736 10 1 0 3,9548 0,615762844651348
127436 BDB-kin136442.mol2, BDB-kin136442.pdbqt 272,33 110,36 -4,122 377,407 0,9764 9 1 0 -2,6458 0,408761777470452
These data are only available for scientific research purposes.