• UNII FDA
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Records 53161 to 53180 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
90478870 H8XVK9X6V8 mol2, pdbqt 185,31 0,14138 40,46 -3,089 248,708 2,3806 2 2 0 -0,98636 0,561225491082385
90478871 WI10K26C2L mol2, pdbqt 185,31 0,14138 40,46 -3,089 248,708 2,3806 2 2 0 -0,98636 0,561225491082385
90478878 WMH6SV5JAQ mol2, pdbqt 263,43 0 0 -9,54 706,484 8,3952 0 0 2 -3,9741 2,74769734207401E-02
90478879 9WR8J0AQ4R mol2, pdbqt 407,83 0,24108 118,21 -3,846 577,723 3,7071 10 3 1 9,6969 0,302125570970867
90478880 2RQX1X205L mol2, pdbqt 164,23 0,48097 110,46 0,339 235,235 -2,3439 7 4 0 2,9002 0,951845638998743
90478885 N3K05139H9 mol2, pdbqt 226,17 0 0 -7,872 548,692 6,9448 0 0 2 -3,9741 3,93449402656287E-02
90478889 7IN2P242DO mol2, pdbqt 423,6 0,37398 185,74 -2,668 568,526 0,1 14 3 2 -5,1199 0,312570944054935
90478894 R35D4Q1C0J mol2, pdbqt 341,85 0,2968 138,2 -3,675 492,538 1,4055 8 3 0 2,0327 0,379941199741537
90478896 6Z4DE1BSNR mol2, pdbqt 295,25 0,18428 60,33 -2,319 335,466 3,3243 5 1 0 -23,605 0,418644578284354
90478897 6Q677A4341 mol2, pdbqt 253,25 0,20691 80,92 -3,747 352,513 2,2609 4 4 0 0,48668 0,647079242987324
90478900 R0F28K850D mol2, pdbqt 54,78 1 82,98 1,524 98,0779 -3,4103 4 2 0 -2,0209 7,20337002000834E-02
90478905 36H4OGY275 mol2, pdbqt 327,51 0,3432 149,4 -1,949 496,491 -1,7895 9 3 0 -17,107 0,368894272595291
90478907 804VVR26PQ mol2, pdbqt 173,64 0,38384 69,62 -2,029 235,235 -1,0417 7 1 0 0,063796 0,579066576914597
90478909 PL812WJY53 mol2, pdbqt 188,91 0 0 -6,204 390,9 5,4944 0 0 1 -3,9741 0,193076999819195
90478910 45LIH5AV8B mol2, pdbqt 167,1 0,32783 82,98 -1,958 425,96 -0,0412 4 2 0 -1,565 0,488023544485472
90478911 10I02777IO mol2, pdbqt 299,41 0,24141 93,06 -3,917 432,555 1,999 6 2 0 0,476 0,349950342814278
90478912 C2F3P473LK mol2, pdbqt 478,04 0,28414 151,68 -3,451 689,796 1,2564 13 2 2 5,1238 0,491395065271163
90478913 5483BY72RT mol2, pdbqt 478,04 0,28414 151,68 -3,451 689,796 1,2564 13 2 2 5,1238 0,491395065271163
90478925 VSD10N68WY mol2, pdbqt 547,9 0,30633 225,06 -4,987 796,988 1,353 14 8 3 -6,5696 0,190897002777047
90478931 M84B114L44 mol2, pdbqt 357,73 0,16227 60,03 -3,852 464,604 4,176 6 1 0 5,072 0,214645951438156
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Records 53161 to 53180 of 55865
These data are only available for scientific research purposes.