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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125232 BDB-kin125404.mol2, BDB-kin125404.pdbqt 231,08 102,5 -3,966 293,333 1,7652 7 2 0 -1,008 0,311567214257972
125233 BDB-kin125405.mol2, BDB-kin125405.pdbqt 349,3 134,71 -3,603 470,556 1,3304 11 1 1 5,7865 0,423031897520827
125234 BDB-kin125406.mol2, BDB-kin125406.pdbqt 359,73 167,29 -4,276 494,582 0,9526 12 3 1 7,3749 0,377227978756225
125235 BDB-kin125407.mol2, BDB-kin125407.pdbqt 334,32 164,39 -3,198 456,534 0,1789 12 2 1 5,6574 0,451086167455836
125236 BDB-kin125408.mol2, BDB-kin125408.pdbqt 359,85 164,64 -5,047 495,567 1,7539 12 2 1 -1,1133 0,124038205440654
125239 BDB-kin125409.mol2, BDB-kin125409.pdbqt 256,49 105,4 -5,286 331,382 2,8055 7 3 0 -0,81083 0,250710691095644
125240 BDB-kin125410.mol2, BDB-kin125410.pdbqt 255,25 118,29 -4,835 332,37 1,9766 8 3 0 2,2647 0,404987554087937
125241 BDB-kin125411.mol2, BDB-kin125411.pdbqt 254,84 111,73 -4,465 323,359 2,109 8 2 0 -2,5129 0,242294648735847
125242 BDB-kin125412.mol2, BDB-kin125412.pdbqt 227,34 128,52 -4,223 294,321 1,0954 8 3 0 -1,008 0,304782026770459
125244 BDB-kin125413.mol2, BDB-kin125413.pdbqt 299,08 60,37 -4,111 384,866 4,0163 6 0 0 1,77 0,106389220702601
125247 BDB-kin125414.mol2, BDB-kin125414.pdbqt 234,24 102,5 -4,121 313,751 2,1247 7 2 0 -0,89691 0,305807600657104
125248 BDB-kin125415.mol2, BDB-kin125415.pdbqt 371,23 167,54 -5,606 529,644 1,8274 11 1 2 7,1707 0,28068922210291
125250 BDB-kin125416.mol2, BDB-kin125416.pdbqt 274,06 108,06 -5,192 376,81 2,6599 8 3 0 2,8703 0,61283869827154
125253 BDB-kin125417.mol2, BDB-kin125417.pdbqt 277,27 108,06 -5,29 421,261 2,7791 8 3 0 1,096 0,510870387561986
125254 BDB-kin125418.mol2, BDB-kin125418.pdbqt 288,1 108,06 -5,234 410,362 2,9022 8 3 0 -4,304 0,180826100363531
125255 BDB-kin125419.mol2, BDB-kin125419.pdbqt 255,49 114,39 -3,667 334,342 1,5797 9 2 0 -0,13631 0,607196681527605
125256 BDB-kin125420.mol2, BDB-kin125420.pdbqt 297,53 102,33 -4,775 390,446 2,1276 8 2 0 2,5876 0,31360999468859
125258 BDB-kin125421.mol2, BDB-kin125421.pdbqt 264 110,17 -5,174 360,376 1,7711 8 2 0 4,372 0,313919804459065
125259 BDB-kin125422.mol2, BDB-kin125422.pdbqt 379,42 113,63 -6,26 491,554 4,0615 9 3 0 -1,8009 0,228422348118306
125260 BDB-kin125423.mol2, BDB-kin125423.pdbqt 278,75 128,29 -4,34 372,391 1,4566 9 4 0 2,5225 0,717569530226543
These data are only available for scientific research purposes.