• UNII FDA
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Records 50461 to 50480 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
72941659 P17P4C999T mol2, pdbqt 566,62 0,21602 158,63 -5,78 666,87 7,5393 10 3 2 -56,836 9,86394091129487E-02
72941660 263L771EYN mol2, pdbqt 235,54 0,042456 9,23 -8,329 376,881 6,6912 1 0 1 -2,0981 1,94890453000377E-02
72941661 O03OU4BS5L mol2, pdbqt 250,96 0,039847 9,23 -9,065 411,326 7,2972 1 0 1 -2,0981 1,73849939542632E-02
72941662 92FDT28RKH mol2, pdbqt 246,04 0,24317 73,32 -2,422 343,382 -0,4434 7 1 0 7,1123 0,898519369442151
72941663 VUN945A63D mol2, pdbqt 250,25 0,41311 112,52 -0,94 303,382 -2,4865 7 3 0 2,1026 0,896844401533536
72941664 915WW480O7 mol2, pdbqt 361,06 0,23647 113,29 -3,778 458,549 4,1398 7 3 0 -8,1741 0,305997269552706
72941665 18N080585M mol2, pdbqt 314,64 0,11467 43,37 -5,557 398,585 6,1483 3 0 1 -20,392 0,187422611726611
72941666 7HO49S4ZBV mol2, pdbqt 225,83 0,16326 32,62 -3,721 288,366 3,543 4 0 0 -2,0091 0,208653302256567
72941667 1IO8CC3XDG mol2, pdbqt 298,63 0,24519 95,03 -1,439 354,422 1,1657 6 2 0 -54,291 0,271000879133494
72941670 8O386558JE mol2, pdbqt 59,88 0,69155 63,32 -0,028 75,0667 -3,3504 3 2 0 -1,6721 0,345157131760071
72941671 8C0R90B364 mol2, pdbqt 274,94 0,22074 57,29 -7,352 330,379 2,7648 5 0 0 -6,6394 8,78320814271844E-02
72941672 Y0QE133WBG mol2, pdbqt 130,19 0,20078 37,3 -1,803 144,213 1,3067 2 1 0 -3,0193 0,402623012653917
72941673 N7M798D2M5 mol2, pdbqt 216,1 0,077048 23,47 -3,097 265,371 3,661 2 1 0 0,87209 0,694303308088939
72941674 2P11D95F76 mol2, pdbqt 545,33 0,04225 26,3 -9,611 560,988 15,48 2 0 2 -33,967 8,36166519948051E-02
72941675 DWE7M9NA6S mol2, pdbqt 235,54 0,042456 9,23 -8,329 376,881 6,6912 1 0 1 -2,0981 1,94890453000377E-02
72941676 LIY8CAP9YR mol2, pdbqt 174,64 0,3683 84,55 -2,942 231,254 0,1395 5 2 0 3,7497 0,911190817332107
72941677 Y294NG8X7S mol2, pdbqt 1921,6 0,47624 1193,5 -4,789 2549,83 -17,656 69 42 3 -8,031 0,194132489259414
72941678 EFV8379BUK mol2, pdbqt 399,52 0,26367 127,36 -7,812 562,533 5,151 10 0 2 -2,6415 3,91778961577094E-02
72941679 G2R79Z38XW mol2, pdbqt 326,15 0,2245 95,03 -1,979 382,476 2,0745 6 2 0 -54,291 0,25755582263623
72941680 H8D1T877WE mol2, pdbqt 214,66 0,21387 65,28 -1,71 261,368 0,6196 4 3 0 -3,0657 0,297578370037339
Page 
 of 2794
Records 50461 to 50480 of 55865
These data are only available for scientific research purposes.