Page 
 of 213
Records 541 to 560 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116020 BDB-kin116176.mol2, BDB-kin116176.pdbqt 368,22 105,82 -4,679 458,539 3,4998 7 3 0 -3,2517 0,301874377467599
116021 BDB-kin116177.mol2, BDB-kin116177.pdbqt 364,1 94,23 -4,401 459,523 3,7151 7 1 0 -6,0876 0,297601503962512
116022 BDB-kin116178.mol2, BDB-kin116178.pdbqt 404,43 124,94 -2,397 530,538 2,8488 10 1 1 -1,0929 0,403439751226221
116023 BDB-kin116179.mol2, BDB-kin116179.pdbqt 368,75 88,24 -3,453 464,518 3,124 7 1 0 -1,6553 0,3964997457916
116024 BDB-kin116180.mol2, BDB-kin116180.pdbqt 383,56 88,24 -4,223 486,525 3,5298 7 1 0 2,2999 0,561434597503502
116025 BDB-kin116181.mol2, BDB-kin116181.pdbqt 358,8 85 -5,434 483,468 4,6964 6 1 0 -7,7257 0,212627125990543
116026 BDB-kin116182.mol2, BDB-kin116182.pdbqt 386,13 109,06 -3,746 491,544 2,683 8 3 0 -1,3827 0,310995151281423
116027 BDB-kin116183.mol2, BDB-kin116183.pdbqt 374,57 105,82 -4,993 476,529 3,6006 7 3 0 -3,2517 0,275441924391956
116028 BDB-kin116184.mol2, BDB-kin116184.pdbqt 383,01 88,24 -4,217 490,556 3,9253 7 1 0 2,6822 0,544309894084422
116029 BDB-kin116185.mol2, BDB-kin116185.pdbqt 398,32 91,24 -4,796 501,604 4,8632 7 2 1 -1,9175 0,250823637502475
116030 BDB-kin116186.mol2, BDB-kin116186.pdbqt 418,88 83,48 -3,954 528,63 4,1178 8 1 1 -0,98486 0,334146744397193
116031 BDB-kin116187.mol2, BDB-kin116187.pdbqt 418,88 83,48 -3,954 528,63 4,1178 8 1 1 -1,7173 0,302698075581325
116032 BDB-kin116188.mol2, BDB-kin116188.pdbqt 378,1 74,25 -3,617 472,566 3,8068 7 1 0 0,75467 0,528184849368001
116033 BDB-kin116189.mol2, BDB-kin116189.pdbqt 378,1 74,25 -3,617 472,566 3,8068 7 1 0 0,75467 0,528184849368001
116034 BDB-kin116190.mol2, BDB-kin116190.pdbqt 367,1 74,25 -3,269 458,539 3,7261 7 1 0 3,2668 0,655702143527125
116035 BDB-kin116191.mol2, BDB-kin116191.pdbqt 431,44 77,49 -3,456 541,673 4,2272 8 1 1 3,7894 0,523108087733709
116036 BDB-kin116192.mol2, BDB-kin116192.pdbqt 407,39 91,24 -5,218 518,059 5,3684 7 2 2 -0,52754 0,252403906070817
116037 BDB-kin116193.mol2, BDB-kin116193.pdbqt 427,95 83,48 -4,376 545,085 4,623 8 1 1 0,38641 0,358807919913275
116038 BDB-kin116194.mol2, BDB-kin116194.pdbqt 427,95 83,48 -4,376 545,085 4,623 8 1 1 -0,34254 0,318275373800815
116039 BDB-kin116195.mol2, BDB-kin116195.pdbqt 402,87 74,25 -4,462 525,001 4,4054 7 1 1 0,9806 0,412831154525391
These data are only available for scientific research purposes.