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Records 54181 to 54200 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
91864449 3H9QKO17ON mol2, pdbqt 788,73 0,10424 99,13 -12,223 865,413 18,749 7 1 2 -17,843 6,33155726396859E-02
91864450 KYX4NVZ639 mol2, pdbqt 262,83 0,56759 203,08 -0,126 379,317 -4,6054 12 7 2 -1,4606 0,53559991756931
91864451 S607X5ES8L mol2, pdbqt 264,56 0,24463 89,05 -2,977 322,464 3,2333 5 1 0 -19,783 0,413271189732499
91864452 54Q2E0145P mol2, pdbqt 275,11 0,14263 57,53 -4,38 300,481 5,9495 3 2 1 -24,016 0,252795923411387
91864453 3X7M8H4T7M mol2, pdbqt 164,81 0,1702 32,34 -1,044 192,261 0,7982 3 1 0 4,3593 0,965228180287303
91864454 981331RC7Z mol2, pdbqt 414,67 0,2782 155,45 -3,911 505,67 3,9212 9 3 1 -24,69 0,282956854575625
91864455 9H5TJP794G mol2, pdbqt 326,48 0,30183 136,68 -3,026 444,478 2,1859 8 5 0 -0,13134 0,120055880516588
91864456 E6MR13U8VY mol2, pdbqt 298,38 0,22682 81,81 -4,325 396,506 3,6873 4 0 0 -1,0775 5,36223940113773E-02
91864457 O1ABK053UW mol2, pdbqt 320,72 0,11724 49,33 -4,378 337,546 4,9635 3 2 0 -18,118 0,291982520033492
91864458 8XT1003K1N mol2, pdbqt 337,99 0,47253 207,09 -2,362 473,445 -2,3928 14 5 1 -4,9059 0,157394464606432
91864459 YD22NEY48Q mol2, pdbqt 345,7 0,1615 77,84 -3,977 385,586 4,6873 5 2 0 -15,822 0,307649382881681
91864461 A74A052316 mol2, pdbqt 629,99 0,005635 3,24 -10,402 635,221 16,956 1 0 2 -14,384 4,38777986153716E-02
91864462 2USP2X4F50 mol2, pdbqt 381,58 0,21762 81,68 -6,195 498,57 5,7149 8 0 1 -3,7101 9,45633898006017E-02
91864463 046M30W397 mol2, pdbqt 381,58 0,21762 81,68 -6,195 498,57 5,7149 8 0 1 -3,7101 9,45633898006017E-02
91864464 WDL722M8A9 mol2, pdbqt 392,11 0,21178 81,68 -6,929 520,576 5,8957 8 0 2 -1,8123 0,149037503767691
91864465 8A47JLA8P4 mol2, pdbqt 226,3 0,21732 63,6 -2,928 292,374 3,1329 4 1 0 1,0454 0,737023358657863
91864466 9O9D5W2G35 mol2, pdbqt 152,01 0,16933 35,09 -2,898 184,217 1,2663 2 1 0 -0,87269 0,598265887208984
91864469 6M033POR79 mol2, pdbqt 397,71 0,48789 265,52 -2,77 610,519 -1,5617 16 10 3 -2,2998 0,112956856650244
91864470 05DOV6F5RI mol2, pdbqt 423,58 0,071155 32,78 -5,031 461,752 6,9487 4 0 1 -11,605 6,09025993099948E-02
91864472 L239656CYQ mol2, pdbqt 451,1 0,066814 32,78 -5,571 489,806 7,8575 4 0 1 -11,605 4,94145060586525E-02
These data are only available for scientific research purposes.