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Records 3061 to 3080 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50305647 BDB-kin50306630.mol2, BDB-kin50306630.pdbqt 235,42 87,16 -4,325 311,344 1,045 7 2 0 1,6725 0,124882205316172
50305650 BDB-kin50306631.mol2, BDB-kin50306631.pdbqt 239,48 82,72 -4,966 320,355 1,6817 7 2 0 1,8542 0,113192585500032
50305652 BDB-kin50306632.mol2, BDB-kin50306632.pdbqt 235,57 85,39 -5,152 325,327 1,7537 8 1 0 1,7334 0,10837488057473
50305653 BDB-kin50306633.mol2, BDB-kin50306633.pdbqt 211,25 95,17 -4,341 287,346 1,4267 6 1 0 2,4099 0,130657206595893
50305659 BDB-kin50306634.mol2, BDB-kin50306634.pdbqt 221,66 87,16 -4,145 297,317 1,2966 7 2 0 1,7835 0,129360343632923
50305660 BDB-kin50306635.mol2, BDB-kin50306635.pdbqt 211,25 95,17 -4,362 287,346 1,6658 6 1 0 3,5407 0,133486359870837
50305661 BDB-kin50306636.mol2, BDB-kin50306636.pdbqt 386,67 79,54 -5,255 498,629 3,1414 8 1 0 4,7789 0,501672707020854
50305662 BDB-kin50306637.mol2, BDB-kin50306637.pdbqt 372,91 79,54 -5,075 484,602 3,393 8 1 0 4,886 0,522755671070706
50305663 BDB-kin50306638.mol2, BDB-kin50306638.pdbqt 372,91 79,54 -5,134 484,602 3,0319 8 1 0 7,1432 0,531889023263297
50306620 BDB-kin50306639.mol2, BDB-kin50306639.pdbqt 408,48 126,74 -6,565 548,646 3,0255 12 2 2 -4,5227 0,188987155507963
50306621 BDB-kin50306640.mol2, BDB-kin50306640.pdbqt 418,65 126,74 -6,674 562,673 3,4061 12 2 2 -29,579 0,174972814483219
50306622 BDB-kin50306682.mol2, BDB-kin50306682.pdbqt 291,63 97,2 -5,861 393,45 1,2108 9 2 0 5,7857 0,570675002895067
50306623 BDB-kin50308060.mol2, BDB-kin50308060.pdbqt 305,39 97,2 -5,866 407,477 1,4668 9 2 0 5,9116 0,55893208129397
50306624 BDB-kin50308135.mol2, BDB-kin50308135.pdbqt 316,39 97,2 -5,781 421,503 1,9542 9 2 0 5,8114 0,551252621368704
50306625 BDB-kin50308136.mol2, BDB-kin50308136.pdbqt 313,24 117,43 -5,359 423,476 0,5401 10 3 0 5,5935 0,600371550399531
50306626 BDB-kin50308137.mol2, BDB-kin50308137.pdbqt 341,71 100,44 -4,989 450,545 0,7603 10 2 0 7,6239 0,613152262057001
50306627 BDB-kin50308138.mol2, BDB-kin50308138.pdbqt 351,16 114,27 -6,329 475,551 2,3462 10 2 0 4,0768 0,456045316524187
50306628 BDB-kin50308140.mol2, BDB-kin50308140.pdbqt 352,26 117,43 -6,278 477,567 2,2025 10 3 0 6,3123 0,462951184789703
50306629 BDB-kin50308141.mol2, BDB-kin50308141.pdbqt 352,26 117,43 -6,278 477,567 2,2025 10 3 0 6,3123 0,462951184789703
50306630 BDB-kin50308142.mol2, BDB-kin50308142.pdbqt 368,17 106,43 -6,406 491,594 2,6304 10 2 0 5,8947 0,436249788707806
These data are only available for scientific research purposes.