Page 
 of 6265
Records 125181 to 125200 of 125298
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50449300 50449300.mol2, BDB-kin50449300.pdbqt 271,66 117 -3,477 372,448 1,7098 7 1 0 4,5935 0,810527927264403
50449301 50449301.mol2, BDB-kin50449301.pdbqt 288,12 111,21 -4,235 452,328 2,8328 7 1 0 2,6815 0,633108762306556
50449302 50449302.mol2, BDB-kin50449302.pdbqt 288,12 111,21 -4,235 452,328 2,8328 7 1 0 2,6815 0,633108762306556
50449303 50449303.mol2, BDB-kin50449303.pdbqt 286,84 111,21 -4,093 405,449 2,5331 7 1 0 3,8734 0,715265763484328
50449304 50449304.mol2, BDB-kin50449304.pdbqt 275,84 111,21 -3,715 391,422 2,2084 7 1 0 3,1315 0,757208322314017
50449305 50449305.mol2, BDB-kin50449305.pdbqt 295,91 111,21 -4,515 421,904 3,0383 7 1 0 5,2649 0,650988888303092
50449306 50449306.mol2, BDB-kin50449306.pdbqt 284,91 111,21 -4,137 407,877 2,7136 7 1 0 4,5239 0,70751961435247
50449307 50449307.mol2, BDB-kin50449307.pdbqt 280,49 111,21 -3,779 387,459 2,4323 7 1 0 5,2134 0,764548958127093
50449308 50449308.mol2, BDB-kin50449308.pdbqt 269,49 111,21 -3,401 373,432 2,1076 7 1 0 4,4715 0,80718794096833
50449309 50449309.mol2, BDB-kin50449309.pdbqt 280,57 125,79 -4,202 398,845 2,0298 7 2 0 3,1099 0,714208908210089
50449310 50449310.mol2, BDB-kin50449310.pdbqt 282,66 117 -3,845 386,475 2,3888 7 1 0 5,1252 0,761189587635248
50449311 50449311.mol2, BDB-kin50449311.pdbqt 299,12 111,21 -4,613 466,355 3,1575 7 1 0 3,4234 0,585046076200454
50449312 50449312.mol2, BDB-kin50449312.pdbqt 290,29 117 -4,311 451,344 2,435 7 1 0 2,8035 0,640515204441764
50449313 50449313.mol2, BDB-kin50449313.pdbqt 272,66 74,22 -3,616 344,362 2,6781 6 1 0 0,21902 0,623457485260435
50449314 50449314.mol2, BDB-kin50449314.pdbqt 327,61 170,28 -6,428 457,602 3,6024 7 2 0 4,6835 0,434648318608434
50449315 50449315.mol2, BDB-kin50449315.pdbqt 309,35 111,69 -5,731 426,446 3,8089 6 2 0 0,99909 0,432417958194772
50449370 50449370.mol2, BDB-kin50449370.pdbqt 193,16 54,02 -5,055 269,278 2,0163 4 2 0 0,15784 0,541722756927019
50449371 50449371.mol2, BDB-kin50449371.pdbqt 193,16 54,02 -4,926 269,278 2,0848 4 2 0 0,15784 0,552554526905888
50449372 50449372.mol2, BDB-kin50449372.pdbqt 286,75 135,45 -5,942 436,278 2,3128 8 3 0 2,1903 0,495170504106493
50449373 50449373.mol2, BDB-kin50449373.pdbqt 293,7 87,14 -6,469 437,232 3,006 6 3 0 -1,7185 0,269970489603833
These data are only available for scientific research purposes.