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Records 3041 to 3060 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50305300 BDB-kin50305646.mol2, BDB-kin50305646.pdbqt 286,79 88,33 -3,599 380,451 1,9657 8 2 0 2,381 0,762117738106123
50305301 BDB-kin50305647.mol2, BDB-kin50305647.pdbqt 359,15 79,54 -4,56 470,575 3,6367 8 1 0 5,621 0,572186432493987
50305302 BDB-kin50305650.mol2, BDB-kin50305650.pdbqt 357,91 92,43 -3,765 471,563 2,6358 9 1 0 5,621 0,671574063894233
50305303 BDB-kin50305652.mol2, BDB-kin50305652.pdbqt 419,75 104,9 -4,393 556,669 2,6562 11 1 2 5,621 0,525247737773874
50305304 BDB-kin50305653.mol2, BDB-kin50305653.pdbqt 373,33 92,43 -4,501 506,008 3,2418 9 1 1 5,6298 0,555851464014279
50305305 BDB-kin50305659.mol2, BDB-kin50305659.pdbqt 380,17 101,66 -4,308 501,589 2,9172 10 1 1 5,5883 0,587318453472561
50305306 BDB-kin50305660.mol2, BDB-kin50305660.pdbqt 372,91 79,54 -4,74 484,602 3,3851 8 1 0 5,5081 0,55346964538254
50305307 BDB-kin50305661.mol2, BDB-kin50305661.pdbqt 300,55 88,33 -3,779 394,477 1,7141 8 2 0 2,311 0,739538577952363
50305546 BDB-kin50305662.mol2, BDB-kin50305662.pdbqt 311,74 93,96 -5,534 432,405 1,8367 8 2 0 -5,1526 0,28548270485476
50305547 BDB-kin50305663.mol2, BDB-kin50305663.pdbqt 333,35 93,96 -5,909 464,422 2,0174 8 2 0 -5,8776 0,252745733628291
50305548 BDB-kin50306620.mol2, BDB-kin50306620.pdbqt 358 106,85 -6,246 495,464 2,5445 9 2 0 -6,2067 0,222766754712076
50305549 BDB-kin50306621.mol2, BDB-kin50306621.pdbqt 281,7 73,06 -4,94 370,411 2,4245 6 1 0 -0,33587 0,472511833612157
50305550 BDB-kin50306622.mol2, BDB-kin50306622.pdbqt 283,25 73,06 -5,444 372,427 3,1891 6 1 0 -0,71435 0,391306963650647
50305551 BDB-kin50306623.mol2, BDB-kin50306623.pdbqt 290,26 104,38 -5,11 380,471 2,8021 6 2 0 -1,4597 0,375674746380456
50305552 BDB-kin50306624.mol2, BDB-kin50306624.pdbqt 298,11 104,38 -5,185 398,461 2,5765 6 2 0 -2,7457 0,327527746228313
50305553 BDB-kin50306625.mol2, BDB-kin50306625.pdbqt 324 104,38 -6,317 428,515 4,1045 6 2 0 -2,1663 0,243027799301314
50305554 BDB-kin50306626.mol2, BDB-kin50306626.pdbqt 322,76 117,27 -5,522 429,503 3,1036 7 2 0 -2,1663 0,300579018400136
50305555 BDB-kin50306627.mol2, BDB-kin50306627.pdbqt 322,76 117,27 -5,522 429,503 3,1036 7 2 0 -2,1663 0,300579018400136
50305645 BDB-kin50306628.mol2, BDB-kin50306628.pdbqt 301,79 75,44 -4,093 393,489 2,1539 7 2 0 1,9663 0,696435159624061
50305646 BDB-kin50306629.mol2, BDB-kin50306629.pdbqt 221,66 87,16 -4,145 297,317 1,2966 7 2 0 1,7835 0,129360343632923
These data are only available for scientific research purposes.