• UNII FDA
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Records 52881 to 52900 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
87223092 MDK50N9MCI mol2, pdbqt 269 0,097175 37,3 -4,551 282,466 6,7191 2 1 1 -28,971 4,83745170363866E-02
87223093 28580PL456 mol2, pdbqt 270,02 0,096808 37,3 -4,779 284,482 6,9713 2 1 1 -25,216 4,54685620278655E-02
87223095 R0P7945RRN mol2, pdbqt 242,5 0,10779 37,3 -4,239 256,428 6,0625 2 1 1 -25,216 0,092678499045464
87224370 X6U57404K1 mol2, pdbqt 257,44 0,52067 184,12 -0,923 411,31 -3,4408 9 5 0 -18,74 9,95779661300269E-02
87238723 3LP6ENO09H mol2, pdbqt 217,06 0,30443 71,06 -1,1 260,285 0,4706 6 0 0 -8,1406 0,287645895385506
87250353 17KQX8S0AP mol2, pdbqt 269,07 0,29565 96,83 -3,666 357,433 2,1619 6 1 0 7,5038 0,804105785497456
87280384 9WGT51BDDL mol2, pdbqt 339,43 0,30731 124,24 -4,843 458,473 1,7526 9 3 0 -0,12764 0,269760808911302
87280498 V45T2I862X mol2, pdbqt 339,43 0,30731 124,24 -4,843 458,473 1,7526 9 3 0 -0,12764 0,269760808911302
87282675 NMZ5263DAB mol2, pdbqt 122,87 0,55026 103,78 -0,252 163,172 -2,8292 5 4 0 -2,3776 0,256967803818587
87289511 L0E864FG5H mol2, pdbqt 137,63 0,58984 118,44 -0,012 175,187 -6,5043 6 4 0 -12,82 0,493351408488247
87319941 M25U72FT59 mol2, pdbqt 132,54 0,69096 135,29 0,349 194,138 -3,7077 7 5 0 -0,64358 0,66224658337708
87320369 GQK0L6ZDHA mol2, pdbqt 187,46 0,13944 37,3 -3,159 200,321 4,2449 2 1 0 -25,216 8,33949944002372E-02
87402949 1219T08QQU mol2, pdbqt 117,27 0,36855 67,34 -0,639 152,129 -1,5152 3 2 0 -20,258 0,492720526947719
87420979 7884P6VZJZ mol2, pdbqt 130,89 0,14378 29,26 0,019 131,242 -1,1811 2 1 0 4,2891 0,786480483815219
87443663 JNE7RI4NH8 mol2, pdbqt 145,08 0,089881 17,07 -2,735 162,231 2,6164 1 0 0 -4,1248 0,165482102196762
87444617 BTI71S2X1M mol2, pdbqt 141,61 0,17336 29,43 -3,005 193,289 2,1124 2 0 0 -0,85426 0,211316251444991
87445724 6W1S7EZ5AU mol2, pdbqt 110,24 0,61275 100,62 -0,421 147,129 -3,3586 5 3 0 -18,651 0,493849850756486
87473486 4S4BT7093N mol2, pdbqt 29,22 0,46407 23,79 -0,167 27,0259 -0,2778 1 0 0 -1,8447 0,202896807356478
87514783 5V0QM86U9T mol2, pdbqt 267,98 0,097545 37,3 -4,323 280,45 6,4669 2 1 1 -25,561 0,143148915697708
87556584 8D84QYK87K mol2, pdbqt 453,4 0,19138 91,43 -6,94 588,823 6,2228 7 0 2 1,7937 0,20148365522239
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Records 52881 to 52900 of 55865
These data are only available for scientific research purposes.