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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3206 3206.mol2, BDB-kin3206.pdbqt 367,93 162,62 -4,388 507,494 2,8502 10 5 1 -0,72245 0,245041834554635
3207 3207.mol2, BDB-kin3207.pdbqt 388,64 182,49 -4,846 534,519 0,2795 11 6 3 2,3015 0,51091177530523
3208 3208.mol2, BDB-kin3208.pdbqt 395,42 182,49 -4,378 540,567 -0,1273 11 6 3 -2,6494 0,302788218407589
3209 3209.mol2, BDB-kin3209.pdbqt 395,42 182,49 -4,378 540,567 -0,1273 11 6 3 -2,6494 0,302788218407589
3210 3210.mol2, BDB-kin3210.pdbqt 387,4 195,38 -4,075 535,508 -0,6674 12 6 3 2,3015 0,342171436505288
3211 3211.mol2, BDB-kin3211.pdbqt 370,89 165,42 -4,537 506,509 2,5121 10 6 2 2,3241 0,548763308986321
3212 3212.mol2, BDB-kin3212.pdbqt 377,24 185,65 -4,241 522,508 2,1664 11 7 3 2,3241 0,559398561031249
3213 3213.mol2, BDB-kin3213.pdbqt 409,06 163,65 -4,869 550,562 2,7178 11 5 2 2,4143 0,47406828877027
3214 3214.mol2, BDB-kin3214.pdbqt 378,79 171,49 -6,353 532,504 1,2022 11 5 2 2,3015 0,319461376356194
3215 3215.mol2, BDB-kin3215.pdbqt 341,27 162,26 -5,307 488,451 2,4176 10 5 0 2,7916 0,307100340790991
3228 3228.mol2, BDB-kin3228.pdbqt 377,97 165,42 -5,603 528,516 3,0225 10 6 2 2,7916 0,157261609351743
3229 3229.mol2, BDB-kin3229.pdbqt 405,49 165,42 -6,143 556,569 3,7065 10 6 2 2,3241 0,226401693146745
3230 3230.mol2, BDB-kin3230.pdbqt 384,91 165,42 -5,089 532,547 2,9849 10 6 2 -2,5206 0,26218355975826
3231 3231.mol2, BDB-kin3231.pdbqt 393,15 174,65 -4,555 536,535 2,4421 11 6 3 2,4143 0,517835712747268
3232 3232.mol2, BDB-kin3232.pdbqt 367,38 177,18 -5,795 502,478 2,9712 10 5 1 -4,5994 0,232693059127382
3233 3233.mol2, BDB-kin3233.pdbqt 391,71 188,64 -4,909 536,535 2,1474 11 6 3 -1,676 0,298379531156027
3294 3294.mol2, BDB-kin3294.pdbqt 203,75 63,83 -5,126 315,173 3,343 4 2 0 -2,7253 0,163636728374784
3295 3295.mol2, BDB-kin3295.pdbqt 217,49 47,04 -5,068 330,184 3,9503 4 1 0 -2,7293 0,322715549533928
3296 3296.mol2, BDB-kin3296.pdbqt 218,9 83,63 -5,51 345,155 3,0987 6 1 0 -8,132 0,29986064455161
3297 3297.mol2, BDB-kin3297.pdbqt 203,75 63,83 -5,126 315,173 3,343 4 2 0 -2,7253 0,163636728374784
These data are only available for scientific research purposes.