• UNII FDA
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Records 47861 to 47880 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
58701634 1EE90N4Z0S mol2, pdbqt 359,41 0,23722 106,97 -4,478 486,603 3,2887 7 1 0 5,4609 0,346506511112331
58721060 R327X197HY mol2, pdbqt 454,02 0,066076 27,69 -13,337 549,146 14,489 3 0 2 -136,46 3,05351841748466E-02
58746970 4411KHU5T3 mol2, pdbqt 246,71 0,26525 97,99 -3,372 320,384 2,6617 5 4 0 1,3082 0,743480273698102
58746975 K0G01QDJ8V mol2, pdbqt 333,04 0,30501 144,52 -3,134 440,531 1,4323 8 5 0 1,871 0,717618347101938
58747637 U98SS1SU9R mol2, pdbqt 412,46 0,36331 205,76 -2,049 585,656 -1,1535 13 7 3 7,6061 0,369147845250926
58750526 RQY857DOCC mol2, pdbqt 284 0,19768 64,99 -4,47 330,463 6,2785 5 1 1 -24,992 0,140224679792499
58758927 84W310TAYD mol2, pdbqt 237,3 0,17623 49,5 -4,289 297,421 3,7546 2 1 0 2,5381 0,685905759551205
58761796 WXR21931AA mol2, pdbqt 171,32 0,51453 108,31 -3,391 267,219 -0,623 8 2 0 0,02072 0,6687485357968
58780151 VDX98QW19I mol2, pdbqt 594,72 0,18533 134,03 -6,979 823,735 6,0711 11 2 3 1,8577 3,61542449544575E-02
58800432 R5H990TB21 mol2, pdbqt 177,16 0 0 -6,76 230,309 5,3774 0 0 1 -2,4599 0,102439985538802
58852610 ZRT0P1L622 mol2, pdbqt 494,44 0,25018 132,48 -8,115 638,723 7,0423 12 0 3 -9,3431 8,42044239679949E-02
58852611 IN72J7R432 mol2, pdbqt 494,44 0,25018 132,48 -8,99 638,723 6,6607 12 0 3 -6,6271 8,56523549527574E-02
58853307 W96L2O9I1E mol2, pdbqt 382,13 0,11915 54,38 -7,713 541,487 6,9034 4 2 2 0,66722 8,23961348252177E-02
58855087 3Z35AA0H0B mol2, pdbqt 321,72 0,14323 52,6 -4,921 400,557 5,0375 4 0 1 -2,6236 0,267152514241989
58866062 X40PU1W53P mol2, pdbqt 336,68 0,068611 29,46 -6,164 388,633 8,6121 2 1 1 -3,2757 0,147467023678239
58866222 0ZRY25AO6Z mol2, pdbqt 171,36 0,020717 3,24 -2,298 191,317 2,8375 1 0 0 4,4005 0,902071634025049
58890996 29713BMI56 mol2, pdbqt 254,06 0,40073 138,61 -3,95 402,272 1,3228 8 4 0 0,36749 0,602978692824751
58945624 OZ477A282R mol2, pdbqt 221,95 0,25244 67,49 -2,855 277,282 1,4589 5 1 0 0,13946 0,693791141983282
58974096 4T35I32653 mol2, pdbqt 235,6 0,60267 200,72 -0,982 332,312 -4,4784 11 7 2 0,65505 0,773267751953917
58974612 F2D5P81X82 mol2, pdbqt 782,99 0,21916 207,9 -7,713 1023,31 6,9123 16 3 3 1,8851 8,97618562910405E-02
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Records 47861 to 47880 of 55865
These data are only available for scientific research purposes.