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Records 2381 to 2400 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
222599 BDB-kin227501.mol2, BDB-kin227501.pdbqt 474,15 147,25 -5,624 605,694 2,7494 13 3 2 1,1837 0,345756750750559
222600 BDB-kin227502.mol2, BDB-kin227502.pdbqt 462,19 144,45 -5,906 604,662 3,2851 13 2 2 -0,60884 0,245667716131273
222601 BDB-kin227503.mol2, BDB-kin227503.pdbqt 341,34 131,7 -5,52 448,482 1,9185 10 3 0 2,3076 0,528756042370698
222602 BDB-kin227504.mol2, BDB-kin227504.pdbqt 352,17 157,15 -5,33 484,536 1,5952 11 3 1 4,2943 0,535799095406054
222603 BDB-kin227505.mol2, BDB-kin227505.pdbqt 359,66 173,22 -6,16 500,603 2,1424 10 3 1 4,3025 0,448332828636828
222604 BDB-kin227506.mol2, BDB-kin227506.pdbqt 408,31 153,24 -7,096 548,554 3,0528 13 3 2 -10,656 0,176623825981939
222605 BDB-kin227507.mol2, BDB-kin227507.pdbqt 351,7 132,59 -6,049 473,024 3,4776 7 2 0 1,2687 0,403274313483636
222606 BDB-kin227508.mol2, BDB-kin227508.pdbqt 417,57 134,22 -6,47 569,084 3,7561 10 2 1 3,426 0,33820359181682
222607 BDB-kin227509.mol2, BDB-kin227509.pdbqt 341,34 131,7 -5,52 448,482 1,9185 10 3 0 2,3076 0,528756042370698
222608 BDB-kin227510.mol2, BDB-kin227510.pdbqt 309,77 129,74 -5,164 412,473 2,4565 9 2 0 2,6988 0,355552689089078
222609 BDB-kin227511.mol2, BDB-kin227511.pdbqt 346,66 141,98 -6,274 465,533 2,8635 9 3 0 1,9331 0,43303993541135
222610 BDB-kin23334.mol2, BDB-kin23334.pdbqt 454,78 144,45 -6,595 608,625 2,8144 13 2 2 -2,1699 6,68086001719312E-02
222611 BDB-kin236556.mol2, BDB-kin236556.pdbqt 355,1 131,7 -5,82 462,508 2,3248 10 3 0 0,85237 0,432774003854661
222612 BDB-kin236557.mol2, BDB-kin236557.pdbqt 394,66 118,15 -5,816 518,572 2,3403 11 2 2 1,615 0,150684252173139
222613 BDB-kin236558.mol2, BDB-kin236558.pdbqt 365,93 157,15 -5,63 498,562 2,0015 11 3 1 2,882 0,481612504022893
222614 BDB-kin236559.mol2, BDB-kin236559.pdbqt 389,47 95,09 -5,036 503,605 2,6096 10 2 1 6,1787 0,19125224739761
222615 BDB-kin236560.mol2, BDB-kin236560.pdbqt 390,28 159,23 -7,847 549,074 3,1305 10 3 1 2,5003 0,115653565319108
222616 BDB-kin236561.mol2, BDB-kin236561.pdbqt 339,17 125,91 -5,444 449,466 2,3163 10 3 0 1,8223 0,515815479137951
222617 BDB-kin245467.mol2, BDB-kin245467.pdbqt 375,67 113,97 -5,264 491,55 1,8507 11 2 1 1,8379 0,498952060848779
222618 BDB-kin245468.mol2, BDB-kin245468.pdbqt 375,08 173,22 -6,659 535,048 2,8458 10 3 1 4,3579 0,381443760204639
These data are only available for scientific research purposes.