• UNII FDA
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Records 53421 to 53440 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
90479694 3W1334H51X mol2, pdbqt 401,48 0,26724 126,79 -3,897 584,707 1,6636 10 3 1 4,6058 0,541802318470397
90479695 1MG401K5XU mol2, pdbqt 303,75 0,48672 206,6 -2,377 464,378 -0,4991 12 8 2 -3,7091 0,237720868693666
90479699 2D7SG520WX mol2, pdbqt 521,12 0,28335 197,12 -5,51 696,787 4,3872 12 5 2 -9,6074 0,153913542340631
90479703 IK83350Y8R mol2, pdbqt 478,54 0,18437 89,3 -9,426 568,796 10,128 7 3 2 -13,28 8,29868339471974E-02
90479705 HLP0A2XOL9 mol2, pdbqt 233,04 0,015233 3,24 -4,412 287,405 4,5999 1 0 0 6,4602 0,227658718772792
90479713 Z7Y1U20IBU mol2, pdbqt 222,76 0,57201 170,1 -0,509 304,254 -2,6025 10 5 0 -12,78 0,475444886046462
90479715 DFU5RIN74Y mol2, pdbqt 438,61 0,29395 153,45 -3,016 645,743 0,5443 12 3 2 4,9261 0,534362996655226
90479843 4N0Q3I064C mol2, pdbqt 311,78 0,25614 83,37 -6,16 411,468 2,1127 8 2 0 3,9446 0,187400710167193
90479986 4R1JP3Q4HI mol2, pdbqt 298,68 0,19596 64,55 -4,135 415,37 4,7948 6 0 0 3,4565 0,564072590122771
90480031 UF6PC17XAV mol2, pdbqt 323,46 0,28093 108,74 -5,3 473,38 3,6454 8 3 0 -7,6459 0,151597756613787
90480481 M4AC149ZE3 mol2, pdbqt 399,16 0,17244 70,48 -8,052 533,625 3,7494 8 2 1 2,5437 0,112805190989275
90488755 0825W549JC mol2, pdbqt 2844,2 0,4483 1649,5 -11,139 3766,15 -23,422 99 55 3 -8,478 0,125295104432865
90645590 Y3U6KDN982 mol2, pdbqt 149,26 0,076779 12,03 -2,252 163,263 2,2598 1 1 0 1,8561 0,86935775534447
90659015 1KBI5186B9 mol2, pdbqt 353,1 0,17029 71,55 -6,657 501,665 5,2312 5 2 2 -5,2879 0,157153046975081
90659623 W59606I60A mol2, pdbqt 296,58 0,50452 182,11 -2,71 421,389 -0,0467 12 4 1 -2,4782 0,1268673012481
90662984 5UB4T9892Z mol2, pdbqt 226,32 0,57657 163,93 -1,663 360,286 -2,4401 10 2 0 -29,606 0,271544780660204
90671885 HWQ710J6ZZ mol2, pdbqt 692,29 0,28151 218,19 -5,427 898,049 3,8094 18 1 2 -1,3064 0,113047766252395
90671951 1O57509HOK mol2, pdbqt 145,72 0,36309 69,14 -2,679 208,309 1,6653 2 0 0 4,526 0,920160299733484
90677712 0T9613W9DU mol2, pdbqt 348,32 0,2492 104,44 -3,966 435,563 3,456 8 2 0 -23,652 0,200188340954233
90683273 D5R6OC01IY mol2, pdbqt 377,98 0,16461 80,67 -6,246 512,728 5,4099 5 1 2 -5,4404 9,42283577232671E-02
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Records 53421 to 53440 of 55865
These data are only available for scientific research purposes.