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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50448931 50448931.mol2, BDB-kin50448931.pdbqt 418,32 100,13 -6,855 588,55 6,0841 6 1 2 -8,6409 0,111735410431327
50448932 50448932.mol2, BDB-kin50448932.pdbqt 395,08 109,36 -5,287 568,516 4,3587 7 1 1 1,4875 0,350265828731894
50448933 50448933.mol2, BDB-kin50448933.pdbqt 412,6 100,13 -6,446 580,571 5,8647 6 1 2 -0,89466 0,158745252475804
50448934 50448934.mol2, BDB-kin50448934.pdbqt 398,84 100,13 -6,176 566,544 5,5227 6 1 2 0,81956 0,235275511555798
50448935 50448935.mol2, BDB-kin50448935.pdbqt 398,84 100,13 -6,14 566,544 5,3943 6 1 2 1,4595 0,2585145693833
50448936 50448936.mol2, BDB-kin50448936.pdbqt 405,75 100,13 -6,002 568,56 5,8683 6 1 2 -4,0557 0,136353536910725
50448937 50448937.mol2, BDB-kin50448937.pdbqt 395,58 100,13 -5,82 554,533 5,4826 6 1 2 1,1804 0,2670796995377
50448938 50448938.mol2, BDB-kin50448938.pdbqt 385,08 100,13 -5,906 552,517 5,1807 6 1 2 1,9106 0,295252312684353
50448939 50448939.mol2, BDB-kin50448939.pdbqt 384,58 100,13 -5,624 540,506 5,0762 6 1 2 1,6075 0,316015539292186
50448940 50448940.mol2, BDB-kin50448940.pdbqt 384,58 100,13 -5,662 540,506 5,0336 6 1 2 1,6515 0,317301614377716
50448941 50448941.mol2, BDB-kin50448941.pdbqt 370,82 100,13 -5,392 526,479 4,5792 6 1 1 1,5928 0,365999387727282
50448942 50448942.mol2, BDB-kin50448942.pdbqt 397,14 103,37 -5,993 579,543 5,2182 7 1 2 2,5771 0,283009050454141
50448943 50448943.mol2, BDB-kin50448943.pdbqt 382,28 112,16 -5,813 541,494 4,8664 7 2 1 5,9215 0,344816072405371
50448944 50448944.mol2, BDB-kin50448944.pdbqt 417,21 112,16 -6,423 583,575 6,1555 7 2 2 0,046516 0,177372709828743
50448945 50448945.mol2, BDB-kin50448945.pdbqt 410,9 103,37 -6,263 593,57 5,5602 7 1 2 2,069 0,244548523635688
50448946 50448946.mol2, BDB-kin50448946.pdbqt 386,62 81,4 -6,599 515,479 6,8412 5 1 2 -4,7011 7,79184186980368E-02
50448947 50448947.mol2, BDB-kin50448947.pdbqt 406,58 100,13 -5,98 568,56 5,7009 6 1 2 0,70012 0,23066085044875
50448948 50448948.mol2, BDB-kin50448948.pdbqt 393,88 103,37 -5,577 567,532 4,914 7 1 1 2,0222 0,318409687452593
50448949 50448949.mol2, BDB-kin50448949.pdbqt 351,69 81,4 -5,992 473,398 5,6027 5 1 1 -4,7755 0,136936021800839
50448950 50448950.mol2, BDB-kin50448950.pdbqt 361,09 77,84 -5,715 492,441 5,7897 5 2 1 -0,92552 0,212991999053575
These data are only available for scientific research purposes.