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 of 2794
Records 1041 to 1060 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3740 84C5PTP9X6 mol2, pdbqt 509,88 0,25747 160,49 -8,817 1215,79 3,0647 11 4 2 -9,9867 7,17976746094865E-02
3741 N3RIB7X24K mol2, pdbqt 397,99 0,3623 199,89 -3,606 807,101 -1,8211 12 8 3 5,7441 0,460342976440651
3742 Z40X7EI2AF mol2, pdbqt 544,1 0,28272 194,24 -9,125 1268,86 2,3088 13 6 3 5,3079 0,147199045858691
3743 A4YJ7J11TG mol2, pdbqt 390,14 0,33601 179,66 -4,113 791,102 -0,8944 11 7 3 5,5768 0,438236921366927
3744 JF49U1Q7KN mol2, pdbqt 149,05 0,26924 53,09 -2,389 189,213 1,6366 3 2 0 -1,0387 0,59190906487984
3747 80BJ7WN25Z mol2, pdbqt 219 0,15087 35,53 -4,311 280,322 3,3599 3 0 0 -0,50011 0,509435673120558
3748 D892HFI3XA mol2, pdbqt 149,71 0,31347 54,02 -1,741 179,222 -0,1182 4 2 0 1,9201 0,195797917859047
3749 J0E2756Z7N mol2, pdbqt 335,4 0,22361 87,13 -6,887 428,538 4,0191 7 1 0 -6,2491 0,208336907548351
3752 QBX79NZC1D mol2, pdbqt 177,18 0,35811 90,71 -5,3 256,096 2,2121 5 2 0 -1,6419 5,07988009314602E-02
3758 TBT296U68M mol2, pdbqt 167,23 0,34766 69,3 -2,211 222,247 0,7678 6 1 0 -1,4031 0,340332816218756
3759 34237V843T mol2, pdbqt 188,16 0,3244 67,16 -2,67 231,254 0,3974 5 2 0 2,615 0,540567195712192
3760 GRI7WFR424 mol2, pdbqt 292,44 0,095199 27,05 -5,081 416,134 4,8504 3 0 0 4,7237 0,490432589590156
3763 CYS9AKD70P mol2, pdbqt 106,08 0,094268 9,23 -2,488 184,491 1,4972 1 0 0 -12,081 0,180078409360306
3767 V83O1VOZ8L mol2, pdbqt 109,75 0,46232 68,01 -1,187 137,142 -1,0181 4 2 0 -5,7809 6,38117170981222E-02
3769 GN8S7ZES0F mol2, pdbqt 161,38 0,54908 116,77 -1,155 231,231 -2,9437 7 3 0 1,7062 0,322519331349184
3775 8B9I31H724 mol2, pdbqt 300,57 0,106 46,33 -2,924 353,528 2,1739 3 1 0 6,6393 0,849810819461741
3776 ND2M416302 mol2, pdbqt 56,87 0,23035 20,23 -0,855 60,0955 0,4098 1 1 0 -2,6347 6,80806825733841E-02
3778 OED8FV75PY mol2, pdbqt 182,57 0,11031 23,55 -2,043 230,31 1,6948 3 0 0 3,9048 0,558383328361137
3779 L628TT009W mol2, pdbqt 167,05 0,30386 72,72 -1,142 211,26 0,4502 4 4 0 6,2985 0,464961131542064
3781 WVZ7K9P0JY mol2, pdbqt 219,41 0,16207 44,67 -3,903 285,414 3,2563 3 0 0 6,0737 0,780194016491027
These data are only available for scientific research purposes.