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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3086 3086.mol2, BDB-kin3086.pdbqt 318,64 67,35 -6,549 441,317 4,7346 6 1 0 3,7682 0,227784148564749
3087 3087.mol2, BDB-kin3087.pdbqt 328,64 76,58 -6,223 457,316 4,3207 7 1 0 3,8063 0,410332019137456
3088 3088.mol2, BDB-kin3088.pdbqt 337,89 84,42 -6,628 469,327 4,78 7 1 0 -0,080038 0,266361422617882
3089 3089.mol2, BDB-kin3089.pdbqt 337,89 84,42 -6,628 469,327 4,78 7 1 0 -0,080038 0,266361422617882
3090 3090.mol2, BDB-kin3090.pdbqt 379,17 84,42 -7,133 511,408 5,6869 7 1 2 -17,599 0,135232926360814
3091 3091.mol2, BDB-kin3091.pdbqt 330,16 93,37 -6,074 456,332 3,4725 7 2 0 2,2767 0,443480758340868
3092 3092.mol2, BDB-kin3092.pdbqt 359,12 79,38 -6,29 484,386 4,2303 7 2 0 4,7735 0,394073210028386
3093 3093.mol2, BDB-kin3093.pdbqt 356,46 70,59 -5,628 484,386 4,0905 7 1 0 7,1399 0,446226553443083
3094 3094.mol2, BDB-kin3094.pdbqt 370,22 70,59 -5,898 498,413 4,5449 7 1 0 6,1768 0,390535536477679
3095 3095.mol2, BDB-kin3095.pdbqt 383,98 70,59 -6,228 512,439 4,9031 7 1 1 9,2096 0,205084429856727
3096 3096.mol2, BDB-kin3096.pdbqt 383,98 70,59 -6,228 512,439 4,9031 7 1 1 9,2096 0,205084429856727
3097 3097.mol2, BDB-kin3097.pdbqt 397,74 70,59 -6,528 526,466 5,3094 7 1 2 8,87 0,178747763795721
3098 3098.mol2, BDB-kin3098.pdbqt 402,99 70,59 -5,963 527,474 3,9151 7 1 1 10,265 0,237229928840104
3099 3099.mol2, BDB-kin3099.pdbqt 385,85 84,42 -4,059 528,438 4,0175 8 1 1 -1,2405 0,321730879478319
3100 3100.mol2, BDB-kin3100.pdbqt 387,24 70,59 -6,584 524,45 5,2235 7 1 2 4,937 0,30045664636105
3101 3101.mol2, BDB-kin3101.pdbqt 358,52 64,6 -5,792 495,413 4,2391 7 1 0 8,7228 0,150241741327765
3149 3149.mol2, BDB-kin3149.pdbqt 394,99 202,72 -4,55 550,518 -0,0662 12 7 3 2,3015 0,518351724928767
3150 3150.mol2, BDB-kin3150.pdbqt 397,29 190,69 -5,575 549,53 3,3047 11 6 3 -2,6767 0,226284867956679
3151 3151.mol2, BDB-kin3151.pdbqt 381,23 202,72 -4,28 536,492 -0,4082 12 7 3 3,167 0,569128340146754
3152 3152.mol2, BDB-kin3152.pdbqt 367,47 202,72 -4,01 522,465 -0,7502 12 7 3 2,7486 0,59986235698909
These data are only available for scientific research purposes.