• UNII FDA
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Records 54881 to 54900 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
112500475 9TH184G0MY mol2, pdbqt 261,83 0,25937 72,09 -4,504 323,375 3,5623 6 2 0 -1,96 0,140277476139572
112500491 1ZK048AEUE mol2, pdbqt 148,08 0,10312 26,02 -2,888 175,274 2,2687 1 1 0 -4,3807 0,4596017560244
112500493 O05KL6X2UX mol2, pdbqt 342,67 0,10695 41,93 -4,119 417,547 4,3042 4 1 0 4,7808 0,367521962917899
112500494 5N173DT21C mol2, pdbqt 587,36 0,039226 26,3 -11,289 681,182 15,374 2 0 2 -18,123 6,90106070190186E-02
112500499 P311R2J7T6 mol2, pdbqt 268,29 0,30236 95,81 -3,927 339,374 2,9947 7 3 0 -2,1283 9,18492382502181E-02
112500501 XN542W6704 mol2, pdbqt 208,33 0,25325 69,78 -3,182 255,381 2,2881 3 1 0 -0,62547 0,592329637446424
112500502 A1D85C5R4D mol2, pdbqt 236,51 0,11052 37,3 -4,633 334,885 3,9381 2 1 0 1,9628 0,366650955624896
112500504 14469D7K91 mol2, pdbqt 207,5 0,4148 88,66 -2,231 304,174 0,0861 7 3 0 -38,861 0,462426810097079
112500505 2X3XTE71CQ mol2, pdbqt 162,64 0,080546 20,23 -2,641 170,295 3,9448 1 1 0 -10,536 0,330194060081442
112500506 BVQ5IO53O3 mol2, pdbqt 265,84 0,30327 99,88 -2,82 353,442 1,0782 7 2 0 0,14453 0,668907555402006
112500507 7NS2S77R7S mol2, pdbqt 270,53 0,32218 103,26 -4,619 354,365 1,553 8 3 0 0,93422 0,239647396213633
112500508 J2F98X6U7L mol2, pdbqt 270,53 0,32218 103,26 -4,619 354,365 1,553 8 3 0 0,93422 0,179735547160225
112500509 5M3GSU4DJW mol2, pdbqt 485,45 0,17705 111,85 -3,954 562,849 4,4624 8 4 1 -17,511 0,140490756065294
112500511 W811ZJP4GX mol2, pdbqt 524,43 0,3693 259,16 -7,986 758,191 5,7647 15 5 3 -14,395 1,16687170945098E-02
112500512 03C0AQX30F mol2, pdbqt 246 0,25305 79,38 -3,232 346,469 3,1387 5 2 0 3,2277 0,632188937417901
112500513 9W58UJ73Z4 mol2, pdbqt 310,82 0,26642 99,88 -3,298 408,88 2,071 7 2 0 -7,7862 0,393469497262378
112500514 71400TA8CZ mol2, pdbqt 229,03 0,17159 60,69 -3,758 296,365 2,8044 3 3 0 -2,9775 0,254708911425287
112500515 R978SU80MV mol2, pdbqt 229,03 0,17159 60,69 -3,758 296,365 2,8044 3 3 0 -4,9998 0,244564168795879
112500516 48B64V8CKW mol2, pdbqt 268,29 0,30236 95,81 -3,927 339,374 2,9947 7 3 0 -2,1283 0,12246565100029
112500518 72XZO87CZJ mol2, pdbqt 369,21 0,2143 88,13 -4,502 462,581 5,0357 7 0 1 -0,45085 0,338154814812498
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Records 54881 to 54900 of 55865
These data are only available for scientific research purposes.