• UNII FDA
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Records 53001 to 53020 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
90476459 FPN5WPV10D mol2, pdbqt 52,34 1 77,76 3,28 141,942 0,3317 4 3 0 -1,5793 7,50044693561326E-02
90477010 X3TT5X989E mol2, pdbqt 56,83 1 61,97 -0,482 65,0278 -0,5355 4 3 0 -4,169 0,502529466852789
90477754 AWI83P9U8Z mol2, pdbqt 412,21 0,30417 150,21 -8,571 588,563 5,0856 11 3 3 -4,1781 0,07267336293515
90478345 000M2579QZ mol2, pdbqt 118,42 0,4555 79,93 -3,558 167,256 2,1025 1 0 0 -2,7626 0,462295484249186
90478348 G8KEW6243X mol2, pdbqt 477,86 0,31733 193,83 -4,252 696,828 0,6315 13 6 3 -2,3926 0,245454973636919
90478349 J0I88N7J1V mol2, pdbqt 319,2 0,22607 86,74 -4,72 432,555 3,3139 6 0 0 2,4536 0,352677822678263
90478350 76M3E5QJKE mol2, pdbqt 461,61 0,15632 86,74 -7,063 623,655 7,4896 6 0 2 -9,5244 2,04409978123883E-02
90478362 J76IIY06UU mol2, pdbqt 263,43 0 0 -9,54 706,484 8,3952 0 0 2 -3,9741 2,06077300655551E-02
90478364 043S44F6JB mol2, pdbqt 145,29 0,090164 20,23 -2,21 156,268 3,4166 1 1 0 -7,1932 0,26459046685064
90478365 QL69ANC85C mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 3,99107443570975E-02
90478366 83U1A2LEXE mol2, pdbqt 586,52 0,15733 111,52 -8,257 671,009 11,5 8 2 2 -28,458 7,23044099199065E-02
90478367 976OI8363C mol2, pdbqt 641,56 0,14384 111,52 -9,337 727,116 13,317 8 2 2 -30,331 6,72159230536758E-02
90478368 A83G42GW3M mol2, pdbqt 641,56 0,14384 111,52 -9,337 727,116 13,317 8 2 2 -30,331 6,72159230536758E-02
90478369 0G574ME703 mol2, pdbqt 641,56 0,14384 111,52 -9,337 727,116 13,317 8 2 2 -27,377 6,72159230537579E-02
90478372 22SNB8Y3RU mol2, pdbqt 226,17 0 0 -7,872 548,692 6,9448 0 0 2 -3,9741 3,93449402656287E-02
90478373 R8S8JQJ7GE mol2, pdbqt 521,84 0,26094 160,21 -4,7 652,87 3,2723 12 3 2 6,6504 0,41376380871696
90478374 PFV4DAB539 mol2, pdbqt 97,98 0,83976 102,29 -2,286 157,253 0,6634 7 2 0 -15,548 0,381968453413493
90478376 9728ZM927T mol2, pdbqt 294,24 0,448 184,84 -1,52 374,436 -5,488 10 6 1 -11,402 0,447850272888331
90478377 4U82P4434C mol2, pdbqt 97,63 0,41207 54,7 -0,527 111,147 -0,6912 3 2 0 1,114 0,865971852316189
90478379 51U878P25J mol2, pdbqt 226,18 0,41188 127,51 -2,42 328,2 -2,4402 7 4 0 -14,582 0,455030008765086
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 of 2794
Records 53001 to 53020 of 55865
These data are only available for scientific research purposes.