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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
4180 4180.mol2, BDB-kin4180.pdbqt 314,6 63,05 -4,292 428,322 2,8622 6 1 0 6,6258 0,672920173463906
4181 4181.mol2, BDB-kin4181.pdbqt 285,36 45,23 -6,125 396,276 4,6535 4 1 0 3,7896 0,433568467717917
4182 4182.mol2, BDB-kin4182.pdbqt 284,12 58,12 -5,33 397,264 3,6526 5 1 0 3,7896 0,557974632677168
4183 4183.mol2, BDB-kin4183.pdbqt 307,62 54,46 -6,143 426,302 4,5835 5 1 0 3,8063 0,420203090185614
4184 4184.mol2, BDB-kin4184.pdbqt 385,22 57,7 -6,166 511,451 5,0959 6 1 2 9,2096 0,200796842956738
4185 4185.mol2, BDB-kin4185.pdbqt 398,98 57,7 -6,436 525,478 5,5503 6 1 2 7,3738 0,173861968189666
4186 4186.mol2, BDB-kin4186.pdbqt 397,28 60,94 -5,135 538,477 4,3617 7 1 1 9,6166 0,420431345339569
4187 4187.mol2, BDB-kin4187.pdbqt 411,04 60,94 -5,405 552,504 4,8161 7 1 1 10,029 0,364550671637546
4188 4188.mol2, BDB-kin4188.pdbqt 359,76 51,71 -5,73 494,425 4,4319 6 1 0 8,7228 0,148170549288946
4189 4189.mol2, BDB-kin4189.pdbqt 347,2 57,7 -6,228 481,382 4,3225 6 1 0 4,3986 0,141935036344226
4190 4190.mol2, BDB-kin4190.pdbqt 365,45 65,54 -6,368 495,409 5,1714 6 1 1 6,0924 0,331329718129994
4191 4191.mol2, BDB-kin4191.pdbqt 331,88 57,26 -5,194 433,381 3,833 5 2 0 6,4106 0,324018743364201
4192 4192.mol2, BDB-kin4192.pdbqt 330,18 60,5 -3,893 446,381 2,6444 6 2 0 11,414 0,693541301664736
4193 4193.mol2, BDB-kin4193.pdbqt 387,88 66,49 -6,46 511,451 5,192 6 2 2 6,8094 0,189611667689395
4194 4194.mol2, BDB-kin4194.pdbqt 222,66 59,22 -5,148 320,178 2,7972 4 1 0 3,6113 0,650462805948778
4195 4195.mol2, BDB-kin4195.pdbqt 329,22 48,47 -5,425 433,381 4,0883 5 1 0 8,0794 0,302943976961867
4202 4202.mol2, BDB-kin4202.pdbqt 314,22 61,36 -4,692 420,343 3,0897 6 1 0 8,5728 0,380960452276118
4213 4213.mol2, BDB-kin4213.pdbqt 345,96 70,59 -6,29 482,37 4,1297 7 1 0 4,3986 0,143949262048238
4214 4214.mol2, BDB-kin4214.pdbqt 364,21 78,43 -6,43 496,397 4,9786 7 1 0 6,0924 0,338799666849709
4271 4271.mol2, BDB-kin4271.pdbqt 140,15 60,47 -2,149 155,16 0,8469 3 0 0 -9,1398 0,478842540056779
These data are only available for scientific research purposes.