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Records 124661 to 124680 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446263 50446263.mol2, BDB-kin50446263.pdbqt 299,59 106,07 -8,423 431,348 4,2547 7 3 0 -6,8543 0,183592853918239
50446264 50446264.mol2, BDB-kin50446264.pdbqt 340,28 98,49 -8,056 480,424 4,2835 7 4 0 -4,1213 0,172880866301194
50446265 50446265.mol2, BDB-kin50446265.pdbqt 360,47 95,83 -9,559 505,474 5,7126 6 4 2 -6,6484 0,124670810739022
50446266 50446266.mol2, BDB-kin50446266.pdbqt 360,47 95,83 -9,559 505,474 5,7126 6 4 2 -6,6484 0,124670810739022
50446267 50446267.mol2, BDB-kin50446267.pdbqt 392,79 112,33 -9,9 568,55 5,3919 7 3 2 -9,2517 0,11532917930452
50446268 50446268.mol2, BDB-kin50446268.pdbqt 378,22 112,9 -9,572 533,484 5,4772 7 4 2 -5,9836 0,122627097685804
50446269 50446269.mol2, BDB-kin50446269.pdbqt 350,71 82,7 -8,688 491,447 5,389 6 3 1 -6,6375 0,137318004551534
50446270 50446270.mol2, BDB-kin50446270.pdbqt 406,55 112,33 -10,132 582,577 5,8889 7 3 2 -5,2847 0,10368101566239
50446271 50446271.mol2, BDB-kin50446271.pdbqt 310,42 69,81 -8,188 396,493 4,9458 5 3 0 -1,0274 0,220689186197446
50446272 50446272.mol2, BDB-kin50446272.pdbqt 351,95 69,81 -9,483 490,459 6,3899 5 3 1 -6,6375 0,1160212769851
50446273 50446273.mol2, BDB-kin50446273.pdbqt 346,15 86,88 -9,075 446,509 5,312 6 3 1 0,52333 0,243583306795582
50446274 50446274.mol2, BDB-kin50446274.pdbqt 338,4 79,04 -8,409 434,498 5,3708 6 3 1 0,62836 0,253178119034922
50446275 50446275.mol2, BDB-kin50446275.pdbqt 345,6 69,81 -9,169 472,469 6,2891 5 3 1 -6,6375 0,122212040341254
50446276 50446276.mol2, BDB-kin50446276.pdbqt 339,81 115,63 -8,851 449,469 4,5192 8 3 0 -4,571 0,171766164343209
50446277 50446277.mol2, BDB-kin50446277.pdbqt 328,4 69,81 -8,735 418,499 5,7847 5 3 1 0,50521 0,235493038298078
50446278 50446278.mol2, BDB-kin50446278.pdbqt 310,97 106,07 -7,948 401,469 4,7254 7 3 0 -0,54886 7,14706739140418E-02
50446279 50446279.mol2, BDB-kin50446279.pdbqt 320,21 80,04 -8,656 456,854 5,7821 5 3 1 -7,082 2,96031933003366E-02
50446280 50446280.mol2, BDB-kin50446280.pdbqt 320,21 80,04 -8,656 456,854 5,7821 5 3 1 -7,082 0,049338655500561
50446281 50446281.mol2, BDB-kin50446281.pdbqt 311,14 80,04 -8,234 440,399 5,2769 5 3 1 -7,174 5,59110176761727E-02
50446303 50446303.mol2, BDB-kin50446303.pdbqt 330,76 69,91 -5,762 436,486 2,624 7 1 0 -2,2792 0,289984358357083
These data are only available for scientific research purposes.