Page 
 of 213
Records 3901 to 3920 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50389286 BDB-kin50394172.mol2, BDB-kin50394172.pdbqt 299,41 121,9 -5,832 429,5 1,3954 9 2 0 1,791 0,507391650820532
50389287 BDB-kin50394173.mol2, BDB-kin50394173.pdbqt 312,67 121,9 -5,638 431,515 1,7059 9 2 0 0,40228 0,447718091040606
50389288 BDB-kin50394174.mol2, BDB-kin50394174.pdbqt 312,67 121,9 -5,638 431,515 1,7059 9 2 0 0,40228 0,447718091040606
50389289 BDB-kin50394175.mol2, BDB-kin50394175.pdbqt 326,43 121,9 -5,424 445,542 1,6661 9 2 0 0,15864 0,437573347373363
50389290 BDB-kin50394176.mol2, BDB-kin50394176.pdbqt 326,43 121,9 -5,424 445,542 1,6661 9 2 0 0,15864 0,437573347373363
50390408 BDB-kin50394177.mol2, BDB-kin50394177.pdbqt 293,76 134,38 -4,333 396,474 1,8907 8 2 0 9,5567 0,432970039911871
50390409 BDB-kin50394178.mol2, BDB-kin50394178.pdbqt 345,57 155,21 -5,614 451,51 2,589 10 3 0 5,5355 0,25469063301882
50390410 BDB-kin50394179.mol2, BDB-kin50394179.pdbqt 314,58 128,43 -5,853 402,517 3,5693 7 3 0 3,8254 0,307032745270586
50390411 BDB-kin50394180.mol2, BDB-kin50394180.pdbqt 326,62 168,38 -4,256 453,522 2,284 10 2 0 -0,26293 0,286182880026141
50393329 BDB-kin50394181.mol2, BDB-kin50394181.pdbqt 314,36 135,45 -5,161 449,893 1,9247 8 3 0 1,3761 0,528222395486308
50393342 BDB-kin50394182.mol2, BDB-kin50394182.pdbqt 308,45 135,45 -5,131 453,856 1,6816 8 3 0 1,4079 0,531362341468052
50394164 BDB-kin50394183.mol2, BDB-kin50394183.pdbqt 404,13 137,59 -5,482 531,639 3,9597 10 3 1 -0,79693 0,166070901460147
50394165 BDB-kin50394184.mol2, BDB-kin50394184.pdbqt 419,55 137,59 -6,218 566,084 4,5657 10 3 1 2,9974 0,189529969422803
50394166 BDB-kin50394185.mol2, BDB-kin50394185.pdbqt 365,51 146,38 -5,296 489,559 3,0539 10 4 0 -2,0446 0,171196107652798
50394167 BDB-kin50394186.mol2, BDB-kin50394186.pdbqt 322,21 126,66 -4,737 437,523 3,3488 8 2 0 2,0573 0,569997099320656
50394168 BDB-kin50394187.mol2, BDB-kin50394187.pdbqt 262,36 63,17 -4,072 333,394 2,766 6 1 0 1,317 0,686945964461133
50394169 BDB-kin50394188.mol2, BDB-kin50394188.pdbqt 284,07 86,96 -4,845 358,404 2,6016 7 1 0 -2,963 0,356866063840771
50394170 BDB-kin50394189.mol2, BDB-kin50394189.pdbqt 274,62 63,17 -4,416 347,421 3,1099 6 1 0 1,2352 0,63370487323732
50394171 BDB-kin50394838.mol2, BDB-kin50394838.pdbqt 299,46 131,71 -3,971 412,473 1,53 9 2 0 3,1854 0,729648696372539
50394172 BDB-kin50394839.mol2, BDB-kin50394839.pdbqt 277,78 63,17 -4,808 367,839 3,372 6 1 0 1,3508 0,58318247999974
These data are only available for scientific research purposes.