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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50444211 50444211.mol2, BDB-kin50444211.pdbqt 393,07 117,93 -8,149 538,538 2,7737 10 2 1 5,1153 0,27380495173463
50444212 50444212.mol2, BDB-kin50444212.pdbqt 382,6 117,93 -8,025 524,511 2,3335 10 2 1 5,113 0,360061319272693
50444213 50444213.mol2, BDB-kin50444213.pdbqt 378,66 121,17 -6,672 527,515 0,8628 11 2 2 4,8683 0,243505994244476
50444214 50444214.mol2, BDB-kin50444214.pdbqt 372,31 121,17 -6,358 509,525 0,762 11 2 2 6,2083 0,263712892854051
50444215 50444215.mol2, BDB-kin50444215.pdbqt 370,47 115,44 -7,282 493,526 2,4507 10 2 0 6,0677 0,399535024386627
50444216 50444216.mol2, BDB-kin50444216.pdbqt 322,97 115,44 -6,314 431,455 1,3442 10 2 0 7,1946 0,506783023630824
50444240 50444240.mol2, BDB-kin50444240.pdbqt 401,69 159,95 -4,337 531,68 1,9225 11 4 2 0,39963 0,456122799866953
50444241 50444241.mol2, BDB-kin50444241.pdbqt 370,58 116,99 -6,975 463,584 2,6095 9 4 0 1,5472 0,394041914213817
50444242 50444242.mol2, BDB-kin50444242.pdbqt 359,96 167,71 -4,77 476,6 1,7509 10 5 0 2,1968 0,569707329486004
50444243 50444243.mol2, BDB-kin50444243.pdbqt 329,21 99,17 -5,185 415,511 3,0877 7 4 0 -1,3481 0,355592694550393
50444244 50444244.mol2, BDB-kin50444244.pdbqt 399,52 154,16 -4,261 532,664 2,3203 11 4 2 2,5327 0,548403286823757
50444245 50444245.mol2, BDB-kin50444245.pdbqt 384,7 111,64 -4,636 482,627 2,8694 9 4 0 0,93235 0,501655301953809
50444246 50444246.mol2, BDB-kin50444246.pdbqt 370,94 111,64 -5,158 468,6 2,9465 9 4 0 0,71499 0,165070642549422
50444247 50444247.mol2, BDB-kin50444247.pdbqt 331,36 108,4 -5,073 413,52 3,2075 8 4 0 0,015817 0,269813578620091
50444248 50444248.mol2, BDB-kin50444248.pdbqt 331,36 108,4 -5,073 413,52 3,2075 8 4 0 0,015817 0,449689297700152
50444249 50444249.mol2, BDB-kin50444249.pdbqt 331,36 108,4 -5,073 413,52 3,2075 8 4 0 0,015817 0,449689297700152
50444250 50444250.mol2, BDB-kin50444250.pdbqt 338,56 99,17 -5,833 451,491 4,1258 7 4 0 -7,2458 0,228178242978171
50444251 50444251.mol2, BDB-kin50444251.pdbqt 317,14 99,17 -5,122 389,542 3,1245 7 4 0 -3,4095 0,316798008064152
50444252 50444252.mol2, BDB-kin50444252.pdbqt 313,38 108,4 -4,233 391,514 1,9605 8 4 0 -3,0076 0,384437640880882
50444253 50444253.mol2, BDB-kin50444253.pdbqt 370,96 128,19 -4,847 468,604 2,3714 10 4 0 4,3193 0,588104442501016
These data are only available for scientific research purposes.