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Records 125141 to 125160 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50448979 50448979.mol2, BDB-kin50448979.pdbqt 391,3 154,67 -7,56 520,608 3,8312 9 3 1 2,3078 0,32437114277098
50448980 50448980.mol2, BDB-kin50448980.pdbqt 330,13 89,13 -6,285 473,37 3,7159 7 2 0 -1,414 0,256023549156336
50448981 50448981.mol2, BDB-kin50448981.pdbqt 322,83 108,14 -7,048 420,536 4,7236 6 2 0 0,6764 0,312795329602523
50448982 50448982.mol2, BDB-kin50448982.pdbqt 326,42 108,14 -7,141 420,536 4,6122 6 2 0 3,6555 0,374792922742922
50448983 50448983.mol2, BDB-kin50448983.pdbqt 254,38 102,83 -6,909 332,386 3,4756 5 1 0 -2,5427 0,259505753225168
50448984 50448984.mol2, BDB-kin50448984.pdbqt 312,66 108,14 -6,871 406,509 4,1578 6 2 0 2,3236 0,403441024305206
50448985 50448985.mol2, BDB-kin50448985.pdbqt 326,42 108,14 -7,141 420,536 4,6122 6 2 0 4,319 0,377081566280741
50448986 50448986.mol2, BDB-kin50448986.pdbqt 330,68 128,37 -6,541 436,535 3,7969 7 3 0 -1,0423 0,275765166365302
50448987 50448987.mol2, BDB-kin50448987.pdbqt 311,66 117,37 -6,062 408,481 2,9863 7 2 0 2,345 0,494871284842782
50448988 50448988.mol2, BDB-kin50448988.pdbqt 391,52 170,36 -5,857 520,612 2,7315 10 4 1 3,9081 0,440511724769571
50448989 50448989.mol2, BDB-kin50448989.pdbqt 262,68 96,11 -6,82 349,413 3,5112 5 1 0 2,2699 0,458294222793935
50448990 50448990.mol2, BDB-kin50448990.pdbqt 280,49 128,37 -6,23 380,427 2,6704 7 3 0 3,0258 0,517301581623252
50448991 50448991.mol2, BDB-kin50448991.pdbqt 284,55 100,13 -6,199 374,399 2,5647 7 3 0 0,57788 0,4408571000111
50448992 50448992.mol2, BDB-kin50448992.pdbqt 393,69 176,15 -5,933 519,628 2,5041 10 4 1 3,6681 0,438954209648117
50448993 50448993.mol2, BDB-kin50448993.pdbqt 258,94 122,13 -6,225 350,401 2,7273 6 2 0 2,832 0,528113366317789
50448994 50448994.mol2, BDB-kin50448994.pdbqt 341,69 91,34 -6,518 442,517 2,9944 7 2 0 2,4983 0,444645999551851
50448995 50448995.mol2, BDB-kin50448995.pdbqt 274,14 108,14 -6,141 364,428 3,0788 6 2 0 3,7926 0,527772766318763
50449138 50449138.mol2, BDB-kin50449138.pdbqt 272,36 101,37 -3,541 405,299 1,1589 7 2 0 1,8891 0,735591329780145
50449139 50449139.mol2, BDB-kin50449139.pdbqt 287,78 101,37 -4,277 439,744 1,7649 7 2 0 1,9088 0,385426545046463
50449140 50449140.mol2, BDB-kin50449140.pdbqt 284,57 101,37 -4,179 395,293 1,6457 7 2 0 3,6988 0,439020279126633
These data are only available for scientific research purposes.