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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115960 BDB-kin116116.mol2, BDB-kin116116.pdbqt 328,23 94,23 -3,89 401,469 3,0722 7 1 0 -2,2609 0,237768655848289
115961 BDB-kin116117.mol2, BDB-kin116117.pdbqt 374,83 127,52 -4,29 489,598 2,9302 8 1 0 -7,1852 0,302021767902054
115962 BDB-kin116118.mol2, BDB-kin116118.pdbqt 400,15 130,76 -4,249 518,64 3,7605 9 1 1 -0,87095 0,348576490626208
115963 BDB-kin116119.mol2, BDB-kin116119.pdbqt 399,32 114,54 -4,212 498,585 4,3111 9 1 0 -3,5165 0,27187556224387
115964 BDB-kin116120.mol2, BDB-kin116120.pdbqt 375,56 105,31 -3,597 468,559 3,7016 8 1 0 2,9745 0,625451266485114
115965 BDB-kin116121.mol2, BDB-kin116121.pdbqt 413,35 88,24 -4,889 508,668 5,2006 7 1 2 -0,93522 0,261603525506747
115966 BDB-kin116122.mol2, BDB-kin116122.pdbqt 384,23 106,26 -3,598 470,575 2,9688 8 2 0 -0,25358 0,484129597274604
115967 BDB-kin116123.mol2, BDB-kin116123.pdbqt 389,32 105,31 -3,837 482,586 3,4911 8 1 0 1,2457 0,552267030164002
115968 BDB-kin116124.mol2, BDB-kin116124.pdbqt 382,24 88,24 -4,008 480,614 4,2945 7 1 0 2,7154 0,54479729946772
115969 BDB-kin116125.mol2, BDB-kin116125.pdbqt 427,11 88,24 -4,941 522,695 5,3953 7 1 2 -0,99744 0,241414031552313
115970 BDB-kin116126.mol2, BDB-kin116126.pdbqt 399,59 88,24 -4,619 494,641 4,8586 7 1 0 0,29752 0,364980298773093
115971 BDB-kin116127.mol2, BDB-kin116127.pdbqt 419,07 88,24 -4,638 516,647 5,063 7 1 2 3,6507 0,42226859037046
115972 BDB-kin116128.mol2, BDB-kin116128.pdbqt 385,83 88,24 -4,131 480,614 4,3693 7 1 0 4,9057 0,54655872700307
115973 BDB-kin116129.mol2, BDB-kin116129.pdbqt 393,44 103,46 -4,658 497,597 4,1949 8 1 0 -0,57101 0,343568543799188
115974 BDB-kin116130.mol2, BDB-kin116130.pdbqt 370,01 94,23 -4,431 455,56 4,2753 7 1 0 -0,25089 0,401689438122512
115975 BDB-kin116131.mol2, BDB-kin116131.pdbqt 424,35 88,24 -4,801 522,695 5,2583 7 1 2 3,0656 0,389471011357529
115976 BDB-kin116132.mol2, BDB-kin116132.pdbqt 371,47 97,03 -4,295 454,576 3,8011 7 2 0 1,8158 0,56038756448401
115977 BDB-kin116133.mol2, BDB-kin116133.pdbqt 357,97 121,28 -3,416 459,573 2,6029 7 1 0 -2,3365 0,386128139338036
115978 BDB-kin116134.mol2, BDB-kin116134.pdbqt 364,27 105,23 -4,412 455,56 4,1454 7 2 0 1,5066 0,51798020076293
115979 BDB-kin116135.mol2, BDB-kin116135.pdbqt 340,34 105,23 -4,033 427,507 3,5054 7 2 0 1,0691 0,582311787660874
These data are only available for scientific research purposes.