• UNII FDA
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Records 52961 to 52980 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
89971376 317C6VX21O mol2, pdbqt 305,24 0,27005 91,4 -3,093 393,489 1,1745 7 3 0 5,818 0,823334177999742
90008271 V3TT17X10Q mol2, pdbqt 184,24 0,55341 140,31 -1,039 265,272 -2,1147 8 6 1 1,2891 0,858382720100557
90044055 K5IZ54DF9G mol2, pdbqt 409,73 0,22149 107,5 -5,666 543,681 5,5005 7 2 2 -5,9448 3,65414927949215E-02
90055716 JW31KPS26S mol2, pdbqt 380,48 0,35668 162,54 -3,993 545,911 1,0536 12 3 2 -20,236 3,79641717809913E-02
90094283 4288BE400F mol2, pdbqt 281,18 0,23334 74,77 -0,29 336,434 -0,1553 7 1 0 3,8937 0,922252411972532
90214495 3700M1H39Q mol2, pdbqt 324,91 0,22933 83,48 -3,924 450,463 2,1617 8 1 0 -1,9999 0,390507921462353
90274764 F2796O8AEN mol2, pdbqt 171,91 0,02065 3,24 -2,244 187,285 2,0991 1 0 0 5,8738 0,932712093353024
90311989 8GB79LOJ07 mol2, pdbqt 293,9 0,27486 99,18 -3,357 449,384 0,2531 8 2 0 3,9744 0,746725061513555
90327798 3N3208T8VZ mol2, pdbqt 174,52 0,43686 104,24 -0,084 247,27 -2,9768 6 3 0 2,471 0,935377383681817
90376256 MI8N2779MA mol2, pdbqt 246,08 0,19937 61,36 -2,833 298,385 1,9279 4 3 0 3,3673 0,87489888900866
90376716 E14SZ93V6N mol2, pdbqt 267,26 0,2877 85,58 -3,78 340,382 1,7458 7 1 0 -0,77833 0,320945325115308
90409366 32524GLF40 mol2, pdbqt 295,08 0,22821 76,8 -1,242 440,787 3,2647 7 0 0 -6,6105 0,382436894835169
90410375 VL756B1K0U mol2, pdbqt 356,16 0,20715 94,31 -5,993 453,54 4,1206 6 2 0 1,8158 0,197910721204901
90410965 806E27L76Z mol2, pdbqt 192,71 0,20627 52,93 -2,547 285,342 1,2567 4 2 0 5,0881 0,912916629152541
90420193 I02418V13W mol2, pdbqt 437,21 0,23822 132,48 -8,084 588,71 2,7859 10 1 1 3,6125 0,307620017553765
90437598 S7857ZCE9H mol2, pdbqt 118,57 0,33145 60,69 -0,768 154,164 0,0766 3 3 0 -1,6256 0,571493125800158
90458672 C79880JV0M mol2, pdbqt 97,84 0,52606 75,71 2,45 118,927 -0,8398 4 3 0 -12,519 0,297948176982383
90464183 120SQ2FIK4 mol2, pdbqt 267,89 0,074322 22 -4,894 345,912 5,0712 2 0 1 -12,721 3,41613308841375E-02
90469965 V0392408J4 mol2, pdbqt 1935,7 0,5124 1338,1 -5,474 2640,21 -24,636 69 42 3 -1,2316 0,212030382481757
90470007 9013DUQ28K mol2, pdbqt 356,22 0,49371 227,05 -4,096 509,563 1,4257 12 3 2 10,536 0,621056570350971
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Records 52961 to 52980 of 55865
These data are only available for scientific research purposes.