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Records 3521 to 3540 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50341052 BDB-kin50341071.mol2, BDB-kin50341071.pdbqt 272,7 109,23 -3,663 345,369 2,094 9 3 0 4,3213 0,485054747433752
50341053 BDB-kin50341072.mol2, BDB-kin50341072.pdbqt 244,89 123,22 -3,683 343,3 1,9441 9 3 0 2,5635 0,377850945344144
50341054 BDB-kin50341209.mol2, BDB-kin50341209.pdbqt 250,21 114,77 -3,661 333,354 3,1518 8 3 0 1,1331 0,413843702851325
50341055 BDB-kin50341210.mol2, BDB-kin50341210.pdbqt 243,86 94,54 -3,957 317,355 3,4975 7 2 0 1,232 0,399626628989105
50341056 BDB-kin50341211.mol2, BDB-kin50341211.pdbqt 256,56 135 -3,365 349,353 2,8061 9 4 0 1,1331 0,427285022199067
50341057 BDB-kin50341212.mol2, BDB-kin50341212.pdbqt 230,95 136,11 -3,178 308,308 1,6369 10 3 0 2,8191 0,509150227316278
50341058 BDB-kin50341213.mol2, BDB-kin50341213.pdbqt 313,17 113,67 -4,569 410,44 3,7139 9 3 0 1,776 0,347845592977624
50341059 BDB-kin50341214.mol2, BDB-kin50341214.pdbqt 237,95 114,77 -4,033 319,327 2,9184 8 3 0 1,2302 0,41116813273084
50341060 BDB-kin50341215.mol2, BDB-kin50341215.pdbqt 229,43 88,75 -3,686 304,312 3,2262 7 2 0 1,3013 0,424945659609464
50341061 BDB-kin50341216.mol2, BDB-kin50341216.pdbqt 251,69 97,98 -3,975 334,338 3,5257 8 2 0 1,2312 0,393680591239583
50341062 BDB-kin50341217.mol2, BDB-kin50341217.pdbqt 239,19 101,88 -5,381 318,339 3,8267 7 3 0 1,2302 0,521888664121707
50341063 BDB-kin50341218.mol2, BDB-kin50341218.pdbqt 288,62 124,57 -4,093 372,391 3,128 9 3 0 -2,5975 0,233560734256136
50341064 BDB-kin50341219.mol2, BDB-kin50341219.pdbqt 263,97 114,77 -3,82 347,381 3,5674 8 3 0 0,895 0,380833050694763
50341065 BDB-kin50341220.mol2, BDB-kin50341220.pdbqt 277,73 114,77 -4,09 361,408 4,0218 8 3 0 -1,1637 0,252760779600074
50341066 BDB-kin50341221.mol2, BDB-kin50341221.pdbqt 251,45 101,88 -5,009 332,366 4,0601 7 3 0 1,1331 0,319164537519414
50341067 BDB-kin50341222.mol2, BDB-kin50341222.pdbqt 242,93 75,86 -4,408 317,351 4,386 6 2 0 1,1886 0,568420834243367
50341068 BDB-kin50341223.mol2, BDB-kin50341223.pdbqt 298,62 133,8 -4,754 388,39 3,1941 10 3 0 -2,5484 0,100419357999758
50341069 BDB-kin50341224.mol2, BDB-kin50341224.pdbqt 276,36 124,57 -4,465 358,364 2,8946 9 3 0 -2,504 0,229580028075726
50341070 BDB-kin50341225.mol2, BDB-kin50341225.pdbqt 284,11 100,78 -5,057 401,351 4,1333 8 3 0 -5,414 0,168377216429677
50341071 BDB-kin50341226.mol2, BDB-kin50341226.pdbqt 300,65 100,78 -5,535 395,425 5,1261 8 3 1 1,3013 0,239489931802059
These data are only available for scientific research purposes.