Page 
 of 6265
Records 123821 to 123840 of 125298
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442331 50442331.mol2, BDB-kin50442331.pdbqt 210,66 48,91 -4,509 274,322 3,1679 3 2 0 -0,85358 0,284686035814142
50442332 50442332.mol2, BDB-kin50442332.pdbqt 269,97 44,12 -4,734 344,413 4,4733 4 0 0 -2,7395 0,252441641544015
50442333 50442333.mol2, BDB-kin50442333.pdbqt 196,82 54,98 -3,656 254,288 2,7322 4 1 0 -4,3542 0,25314201038673
50442334 50442334.mol2, BDB-kin50442334.pdbqt 269,97 44,12 -4,734 344,413 4,4733 4 0 0 -2,7395 0,189331231158011
50442335 50442335.mol2, BDB-kin50442335.pdbqt 266,58 64,21 -5,084 346,385 4,0145 5 1 0 -4,1718 0,181316761973331
50442336 50442336.mol2, BDB-kin50442336.pdbqt 244,32 54,98 -5,066 316,359 4,0845 4 1 0 -4,3542 0,183537806465519
50442672 50442672.mol2, BDB-kin50442672.pdbqt 274,13 55,11 -6,243 351,412 2,8315 5 1 0 4,4828 0,535769721946735
50442673 50442673.mol2, BDB-kin50442673.pdbqt 262,52 107,16 -5,335 335,37 0,3602 8 2 0 1,5985 0,606496748343934
50442674 50442674.mol2, BDB-kin50442674.pdbqt 286,81 77,47 -5,319 359,432 1,6498 6 2 0 1,3487 0,577530533241624
50442675 50442675.mol2, BDB-kin50442675.pdbqt 263,05 68,24 -6,064 329,406 1,9609 5 2 0 1,6893 0,533711345353608
50442676 50442676.mol2, BDB-kin50442676.pdbqt 226,22 96,92 -4,052 293,333 -0,4878 7 3 0 1,9753 0,775135727133249
50442677 50442677.mol2, BDB-kin50442677.pdbqt 230,46 109,37 -4,92 309,332 -0,8066 8 4 0 2,0007 0,680783157587647
50442678 50442678.mol2, BDB-kin50442678.pdbqt 232,59 109,37 -4,205 310,384 0,2561 6 2 0 1,9438 0,751439694859495
50442679 50442679.mol2, BDB-kin50442679.pdbqt 233,83 96,48 -5,217 309,396 1,1407 5 2 0 1,9438 0,639799853857283
50442680 50442680.mol2, BDB-kin50442680.pdbqt 245,01 45,46 -4,268 315,807 1,5257 5 1 0 6,6667 0,783769039976319
50442681 50442681.mol2, BDB-kin50442681.pdbqt 252,74 81,38 -5,414 319,367 1,1866 6 2 0 1,3952 0,590798312542087
50442682 50442682.mol2, BDB-kin50442682.pdbqt 268,89 71,48 -4,97 336,442 1,1347 6 2 0 1,1702 0,617173796415364
50442683 50442683.mol2, BDB-kin50442683.pdbqt 263,05 68,24 -6,064 329,406 1,9609 5 2 0 1,6893 0,533711345353608
50442684 50442684.mol2, BDB-kin50442684.pdbqt 263,05 68,24 -6,064 329,406 1,9609 5 2 0 1,6893 0,533711345353608
50442685 50442685.mol2, BDB-kin50442685.pdbqt 292,21 45,46 -6,202 371,486 3,2298 5 1 0 8,0993 0,520402572593991
These data are only available for scientific research purposes.