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 of 2794
Records 47501 to 47520 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
56941241 9MM2R1A06R mol2, pdbqt 337,02 0,15162 65,98 -6,463 446,908 4,8217 4 2 0 2,2446 6,24150883491128E-02
56944013 YH924E906N mol2, pdbqt 220,82 0,075129 20,31 -3,366 271,402 3,4399 2 0 0 2,6306 0,471569344011659
56944014 XCR81K70CC mol2, pdbqt 220,82 0,075129 20,31 -3,366 271,402 3,4399 2 0 0 2,6306 0,471569344011659
56944144 0K5743G68X mol2, pdbqt 302,42 0,2229 77 -4,296 410,423 2,8367 6 1 0 1,315 0,61770521660153
56944705 YWY620GU8I mol2, pdbqt 335,73 0,23376 93,45 -6,148 483,392 3,6976 7 2 0 -1,1606 0,10209969078397
56945144 D5ZAQ41GWY mol2, pdbqt 322,41 0,33113 116,41 -5,231 409,449 3,1716 10 1 0 -41,373 0,293328798460899
56945145 56498AIV8R mol2, pdbqt 371,44 0,23495 100,85 -4,807 539,528 4,6514 7 0 1 -3,1896 0,220757378750868
56945146 403N302X2Y mol2, pdbqt 344,03 0,25408 95,46 -4,31 474,438 2,6336 8 1 0 -6,2099 0,314768641333531
56947515 S9WA04F921 mol2, pdbqt 382,32 0,24563 131,11 -8,833 527,513 4,2515 9 1 1 -11,635 0,05835399418576
56948249 58BU988K90 mol2, pdbqt 451,85 0,21531 114,93 -6,678 653,579 5,683 9 2 2 0,88032 0,187445350926673
56949326 3WV68DY85W mol2, pdbqt 428,85 0,21681 113,32 -6,481 562,668 5,2758 8 3 2 4,0161 9,99209838948386E-02
56949327 O19V2N6W9T mol2, pdbqt 728,95 0,23944 212,27 -4,502 925,173 3,3223 17 3 2 -22,474 0,187921901148068
56949517 DW94IAT0LS mol2, pdbqt 309,26 0,18602 67,59 -3,146 433,429 3,1588 6 1 0 -5,6457 0,368164508952653
56950369 G2283XQ6VJ mol2, pdbqt 198,27 0,36334 84,5 -4,262 276,291 1,6041 6 2 0 -0,9375 0,511500490922621
56951189 GO7U0LVQ2D mol2, pdbqt 462,74 0,21068 125,15 -6,807 627,775 7,0987 8 2 2 -3,0557 0,058399084015194
56951485 WK1NMH89VJ mol2, pdbqt 377,18 0,36691 193,73 -1,864 558,561 -1,0378 12 6 3 6,2203 0,234115733550509
56954675 8J0Y5N290S mol2, pdbqt 372,93 0,30295 120,63 -8,545 517,463 5,0436 10 2 2 -5,8291 0,111145758677297
56955434 6X4T3L6431 mol2, pdbqt 451,85 0,21531 114,93 -6,678 653,579 5,683 9 2 2 0,88032 0,187445350926673
56956246 ZQ32XE9CI8 mol2, pdbqt 291,64 0,22397 91,67 -3,713 366,496 3,4747 5 2 0 -0,99137 0,472708422939805
56956252 89B8ZLI72B mol2, pdbqt 647,14 0,26742 213,82 -7,845 911,102 6,9917 14 2 3 -5,2887 4,48516044384845E-02
These data are only available for scientific research purposes.