Page 
 of 213
Records 321 to 340 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115753 BDB-kin115956.mol2, BDB-kin115956.pdbqt 362,8 97,03 -4,403 458,539 3,7983 7 2 0 0,099541 0,449751997298331
115754 BDB-kin115957.mol2, BDB-kin115957.pdbqt 355,89 105,31 -3,267 458,496 2,8356 8 1 0 0,32593 0,562330965948475
115755 BDB-kin115958.mol2, BDB-kin115958.pdbqt 322,12 88,24 -3,743 428,47 3,7352 7 1 0 -2,3958 0,364910909071146
115756 BDB-kin115959.mol2, BDB-kin115959.pdbqt 348,19 105,23 -4,273 445,497 3,5124 7 2 0 -4,203 0,319621474130794
115757 BDB-kin115960.mol2, BDB-kin115960.pdbqt 388,99 88,24 -4,523 501,032 4,6314 7 1 1 4,9109 0,47966380123333
115758 BDB-kin115961.mol2, BDB-kin115961.pdbqt 389,99 108,47 -4,068 505,02 4,5468 8 2 1 2,2451 0,391285890904562
115759 BDB-kin115962.mol2, BDB-kin115962.pdbqt 427,51 88,24 -5,193 543,113 5,5204 7 1 2 3,0834 0,334690971628495
115760 BDB-kin115963.mol2, BDB-kin115963.pdbqt 374,63 97,03 -4,687 474,994 4,0632 7 2 0 1,8445 0,497136601311877
115761 BDB-kin115964.mol2, BDB-kin115964.pdbqt 361,13 121,28 -3,808 479,991 2,865 7 1 0 -2,2741 0,356753363016574
115762 BDB-kin115965.mol2, BDB-kin115965.pdbqt 373,17 94,23 -4,823 475,978 4,5374 7 1 0 -0,19733 0,355074165399457
115763 BDB-kin115966.mol2, BDB-kin115966.pdbqt 367,43 105,23 -4,804 475,978 4,4075 7 2 0 1,5414 0,456092640225928
115764 BDB-kin115967.mol2, BDB-kin115967.pdbqt 343,5 105,23 -4,425 447,925 3,7675 7 2 0 1,1129 0,526322968156139
115765 BDB-kin115968.mol2, BDB-kin115968.pdbqt 343,5 105,23 -4,425 447,925 3,7675 7 2 0 1,1129 0,526322968156139
115766 BDB-kin115969.mol2, BDB-kin115969.pdbqt 357,26 105,23 -4,695 461,952 4,1095 7 2 0 0,28012 0,425878474059169
115767 BDB-kin115970.mol2, BDB-kin115970.pdbqt 430,27 88,24 -5,551 543,113 5,8047 7 1 2 -3,4222 0,158305109073542
115768 BDB-kin115971.mol2, BDB-kin115971.pdbqt 385,73 88,24 -4,325 489,021 4,3297 7 1 0 2,3463 0,506216426573558
115769 BDB-kin115972.mol2, BDB-kin115972.pdbqt 371,97 88,24 -4,055 474,994 3,9877 7 1 0 1,904 0,548788849328549
115770 BDB-kin115973.mol2, BDB-kin115973.pdbqt 402,75 88,24 -5,011 515,059 5,1207 7 1 2 1,4873 0,36335827884781
115771 BDB-kin115974.mol2, BDB-kin115974.pdbqt 349,87 97,03 -4,069 446,941 3,6541 7 2 0 -0,084273 0,470870666886606
115772 BDB-kin115975.mol2, BDB-kin115975.pdbqt 315,48 105,23 -4,278 407,86 3,131 7 2 0 -2,9099 0,215662698629874
These data are only available for scientific research purposes.