Page 
 of 6265
Records 124541 to 124560 of 125298
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50445939 50445939.mol2, BDB-kin50445939.pdbqt 229,62 53,93 -3,312 350,215 1,9284 5 1 0 -4,7649 0,422277013571325
50445940 50445940.mol2, BDB-kin50445940.pdbqt 205,61 87,79 -2,478 323,149 0,3608 6 2 0 -1,9721 0,50889106184985
50445941 50445941.mol2, BDB-kin50445941.pdbqt 212,87 45,14 -2,485 348,199 1,8297 5 0 0 -2,3974 0,380277145570281
50446090 50446090.mol2, BDB-kin50446090.pdbqt 292,26 124,78 -5,209 425,891 3,4364 6 2 0 3,67 0,357106048691026
50446091 50446091.mol2, BDB-kin50446091.pdbqt 301,33 124,78 -5,631 442,346 3,9416 6 2 0 6,34 0,312668406023629
50446092 50446092.mol2, BDB-kin50446092.pdbqt 341,45 86,89 -5,934 478,399 4,2127 6 2 0 5,8236 0,422411141624446
50446093 50446093.mol2, BDB-kin50446093.pdbqt 312,98 103,88 -5,602 451,329 3,9706 6 3 0 5,2516 0,481372874819717
50446094 50446094.mol2, BDB-kin50446094.pdbqt 304,15 109,43 -4,894 437,306 2,7531 7 2 0 4,9837 0,608278522815677
50446095 50446095.mol2, BDB-kin50446095.pdbqt 330,73 120,95 -5,911 479,339 3,8014 7 3 0 4,4919 0,441719273025211
50446096 50446096.mol2, BDB-kin50446096.pdbqt 360,4 109,95 -6,339 507,393 4,6356 7 2 1 0,28855 0,278763067075146
50446097 50446097.mol2, BDB-kin50446097.pdbqt 330,73 120,95 -5,911 479,339 3,8014 7 3 0 2,1337 0,420667643175172
50446098 50446098.mol2, BDB-kin50446098.pdbqt 319,11 101,47 -5,558 453,349 3,1279 7 2 0 7,4584 0,520677936662504
50446099 50446099.mol2, BDB-kin50446099.pdbqt 294,96 112,33 -4,996 425,295 2,5613 7 3 0 7,0232 0,615729755350688
50446100 50446100.mol2, BDB-kin50446100.pdbqt 295,08 109,68 -5,52 426,279 3,078 7 2 0 6,2446 0,548196033029152
50446101 50446101.mol2, BDB-kin50446101.pdbqt 306,63 83,65 -5,898 435,33 4,3163 5 2 0 5,0062 0,450533635350659
50446102 50446102.mol2, BDB-kin50446102.pdbqt 241,76 91,85 -3,171 360,216 1,7879 5 2 0 1,8946 0,282954117537423
50446103 50446103.mol2, BDB-kin50446103.pdbqt 328,51 109,68 -6,545 468,36 4,2983 7 2 0 4,0411 0,387485419973394
50446104 50446104.mol2, BDB-kin50446104.pdbqt 321,1 109,68 -6,158 454,333 3,9303 7 2 0 3,2181 0,432910861055908
50446105 50446105.mol2, BDB-kin50446105.pdbqt 293,58 109,68 -5,923 426,279 3,4778 7 2 0 3,8927 0,494244383817547
50446106 50446106.mol2, BDB-kin50446106.pdbqt 311,1 109,68 -6,022 421,476 3,4583 7 2 0 1,6028 0,454195339044873
These data are only available for scientific research purposes.