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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442768 50442768.mol2, BDB-kin50442768.pdbqt 270,63 49,17 -3,359 341,385 2,3203 5 0 0 -3,2435 0,43145068543374
50442769 50442769.mol2, BDB-kin50442769.pdbqt 276,9 57,01 -3,711 400,275 3,0745 5 0 0 -3,7871 0,301873310847589
50442770 50442770.mol2, BDB-kin50442770.pdbqt 276,9 57,01 -3,711 400,275 3,0745 5 0 0 -3,7871 0,377341638559486
50442771 50442771.mol2, BDB-kin50442771.pdbqt 264,62 57,01 -3,191 339,369 2,4501 5 0 0 -3,3371 0,260354214427754
50442772 50442772.mol2, BDB-kin50442772.pdbqt 243,24 50,94 -3,301 358,238 2,5899 4 1 0 -3,5077 0,420088306724276
50442773 50442773.mol2, BDB-kin50442773.pdbqt 243,24 50,94 -3,301 358,238 2,5899 4 1 0 -3,5077 0,201642387227652
50442774 50442774.mol2, BDB-kin50442774.pdbqt 230,96 50,94 -2,781 297,332 1,9655 4 1 0 -3,0577 0,465825886469213
50442775 50442775.mol2, BDB-kin50442775.pdbqt 282,91 49,17 -3,879 402,291 2,9447 5 0 0 -3,6935 0,373614692167346
50442776 50442776.mol2, BDB-kin50442776.pdbqt 282,91 49,17 -3,879 402,291 2,9447 5 0 0 -3,6935 0,373614692167346
50442777 50442777.mol2, BDB-kin50442777.pdbqt 270,63 49,17 -3,359 341,385 2,3203 5 0 0 -3,2435 0,43145068543374
50442778 50442778.mol2, BDB-kin50442778.pdbqt 254,18 61,77 -4,958 371,317 2,6603 5 1 0 -2,225 0,361386231003638
50442779 50442779.mol2, BDB-kin50442779.pdbqt 252,68 61,77 -5,999 371,317 3,4026 5 1 0 -3,1541 0,275864905139412
50442780 50442780.mol2, BDB-kin50442780.pdbqt 252,68 61,77 -5,999 371,317 3,4026 5 1 0 -3,1541 0,275864905139412
50442781 50442781.mol2, BDB-kin50442781.pdbqt 246,77 61,77 -5,969 375,28 3,1595 5 1 0 -3,1154 0,281235855712384
50442782 50442782.mol2, BDB-kin50442782.pdbqt 246,77 61,77 -5,969 375,28 3,1595 5 1 0 -3,1154 0,281235855712384
50442783 50442783.mol2, BDB-kin50442783.pdbqt 271,26 61,77 -7,127 426,181 4,2707 5 1 0 -3,0632 0,206643763357805
50442784 50442784.mol2, BDB-kin50442784.pdbqt 255,84 61,77 -6,391 391,735 3,6647 5 1 0 -3,0632 0,250517021952666
50442785 50442785.mol2, BDB-kin50442785.pdbqt 255,84 61,77 -6,391 391,735 3,6647 5 1 0 -3,0632 0,250517021952666
50442786 50442786.mol2, BDB-kin50442786.pdbqt 255,84 61,77 -6,391 391,735 3,6647 5 1 0 -3,0632 0,12024817053728
50442787 50442787.mol2, BDB-kin50442787.pdbqt 255,84 61,77 -6,391 391,735 3,6647 5 1 0 -3,0632 0,250517021952666
These data are only available for scientific research purposes.