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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3598 3598.mol2, BDB-kin3598.pdbqt 189,12 50,7 -3,226 236,277 1,8289 4 1 0 -0,093305 0,657417134634262
3599 3599.mol2, BDB-kin3599.pdbqt 193,99 50,7 -4,255 301,146 3,0194 4 1 0 -2,615 0,403228088515067
3600 3600.mol2, BDB-kin3600.pdbqt 202,51 76,72 -4,856 316,161 2,6935 5 2 0 -2,7253 0,369834420974487
3601 3601.mol2, BDB-kin3601.pdbqt 209,41 50,7 -4,754 335,592 3,7228 4 1 0 -2,5554 0,350054570748728
3602 3602.mol2, BDB-kin3602.pdbqt 200,34 50,7 -5,094 319,137 3,4716 4 1 0 -3,955 0,325009044193404
3603 3603.mol2, BDB-kin3603.pdbqt 217,71 62,73 -4,84 330,188 3,0178 5 2 0 -1,7635 0,390701580747844
3604 3604.mol2, BDB-kin3604.pdbqt 228,81 53,94 -4,816 344,215 3,2672 5 1 0 -1,156 0,413412225369397
3605 3605.mol2, BDB-kin3605.pdbqt 216,25 59,93 -4,798 331,172 3,3008 5 1 0 -2,7293 0,3574292109996
3606 3606.mol2, BDB-kin3606.pdbqt 301,23 71,96 -6,181 436,312 4,3659 6 2 0 -1,9864 0,240573536910013
3607 3607.mol2, BDB-kin3607.pdbqt 199,08 62,73 -4,006 251,292 2,2926 5 2 0 0,026468 0,616001607543128
3608 3608.mol2, BDB-kin3608.pdbqt 189,12 50,7 -4,071 236,277 2,1118 4 1 0 -0,093305 0,604606798310704
3609 3609.mol2, BDB-kin3609.pdbqt 193,99 50,7 -5,1 301,146 3,3023 4 1 0 -2,615 0,348111002523074
3610 3610.mol2, BDB-kin3610.pdbqt 202,51 76,72 -5,701 316,161 2,9764 5 2 0 -2,7253 0,316237141711624
3611 3611.mol2, BDB-kin3611.pdbqt 200,34 50,7 -5,939 319,137 3,7545 4 1 0 -3,955 0,274989917732295
3612 3612.mol2, BDB-kin3612.pdbqt 217,71 62,73 -5,685 330,188 3,3007 5 2 0 -1,7635 0,33271376912334
3613 3613.mol2, BDB-kin3613.pdbqt 228,81 53,94 -5,661 344,215 3,5501 5 1 0 -1,156 0,350783032368114
3614 3614.mol2, BDB-kin3614.pdbqt 216,25 59,93 -5,643 331,172 3,5837 5 1 0 -2,7293 0,303158981448731
3615 3615.mol2, BDB-kin3615.pdbqt 189,12 50,7 -3,121 236,277 1,9514 4 1 0 -0,093305 0,66017004287237
3616 3616.mol2, BDB-kin3616.pdbqt 193,99 50,7 -4,15 301,146 3,1419 4 1 0 -2,615 0,405656348227973
3617 3617.mol2, BDB-kin3617.pdbqt 202,51 76,72 -4,751 316,161 2,816 5 2 0 -2,7253 0,374003152224503
These data are only available for scientific research purposes.