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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442811 50442811.mol2, BDB-kin50442811.pdbqt 260,38 68,01 -4,764 335,381 2,8578 4 2 0 -0,56775 0,472155162919683
50442812 50442812.mol2, BDB-kin50442812.pdbqt 311 114,54 -4,627 409,416 1,9637 7 3 0 -0,92904 0,209336005031784
50442813 50442813.mol2, BDB-kin50442813.pdbqt 341,17 103,54 -5,519 449,481 2,8758 7 2 0 -7,2096 0,267804171522136
50442814 50442814.mol2, BDB-kin50442814.pdbqt 310,56 94,31 -5,09 389,454 3,244 6 2 0 0,38396 0,488484967730986
50442815 50442815.mol2, BDB-kin50442815.pdbqt 324,32 94,31 -5,36 403,481 3,6984 6 2 0 -4,3805 0,168481181909136
50442816 50442816.mol2, BDB-kin50442816.pdbqt 283,04 94,31 -4,52 361,4 2,3833 6 2 0 -1,744 0,413051047645983
50442817 50442817.mol2, BDB-kin50442817.pdbqt 341,17 103,54 -5,519 449,481 2,7839 7 2 0 -1,8227 0,183716540260189
50442818 50442818.mol2, BDB-kin50442818.pdbqt 354,93 103,54 -5,789 463,507 3,1259 7 2 0 -5,64 0,247073359045846
50442819 50442819.mol2, BDB-kin50442819.pdbqt 344,3 94,31 -5,843 437,498 3,8014 6 2 0 0,51541 0,39256678862305
50442820 50442820.mol2, BDB-kin50442820.pdbqt 331,17 94,31 -5,92 433,482 3,5505 6 2 0 -1,0119 0,311066307911636
50442821 50442821.mol2, BDB-kin50442821.pdbqt 317,41 94,31 -5,65 419,455 3,2085 6 2 0 0,33955 0,425807561293132
50442822 50442822.mol2, BDB-kin50442822.pdbqt 338,08 94,31 -5,63 417,507 4,1528 6 2 0 -8,6205 0,158462699141072
50442823 50442823.mol2, BDB-kin50442823.pdbqt 351,84 94,31 -5,9 431,534 4,6072 6 2 0 -13,04 0,13081447830809
50442824 50442824.mol2, BDB-kin50442824.pdbqt 289,39 94,31 -4,834 379,39 2,4841 6 2 0 -3,084 0,350322856110683
50442825 50442825.mol2, BDB-kin50442825.pdbqt 316,91 94,31 -5,404 407,444 3,3448 6 2 0 -0,95604 0,360458480294167
50442826 50442826.mol2, BDB-kin50442826.pdbqt 338,58 94,31 -6,094 429,518 3,939 6 2 0 -4,1035 0,235356043349539
50442827 50442827.mol2, BDB-kin50442827.pdbqt 336,89 94,31 -6,163 441,461 4,0016 6 2 0 -0,85741 0,290067167658712
50442828 50442828.mol2, BDB-kin50442828.pdbqt 273,48 105,31 -4,706 365,363 0,3294 6 3 0 -0,89059 0,463425046166212
50442829 50442829.mol2, BDB-kin50442829.pdbqt 344,93 94,31 -6,19 447,508 3,8925 6 2 0 -2,7294 0,236777171436884
50442830 50442830.mol2, BDB-kin50442830.pdbqt 352,34 94,31 -6,146 443,545 4,1337 6 2 0 -3,8497 0,224433663148675
These data are only available for scientific research purposes.