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Records 3281 to 3300 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50315451 BDB-kin50315727.mol2, BDB-kin50315727.pdbqt 224,27 82,55 -4,811 327,722 3,2726 5 3 0 0,83915 0,573188915656523
50315452 BDB-kin50315728.mol2, BDB-kin50315728.pdbqt 208,85 82,55 -4,075 293,277 2,6666 5 3 0 0,74903 0,661883698818598
50315453 BDB-kin50315729.mol2, BDB-kin50315729.pdbqt 380,29 107,63 -2,884 507,585 2,6892 9 3 1 9,8945 0,400416587832785
50315454 BDB-kin50315730.mol2, BDB-kin50315730.pdbqt 358,68 87,4 -3,091 477,559 3,2096 8 2 0 10,185 0,680466742748221
50315455 BDB-kin50315731.mol2, BDB-kin50315731.pdbqt 346,12 93,39 -3,589 464,516 3,1002 8 2 0 3,5816 0,667513115777475
50315456 BDB-kin50315732.mol2, BDB-kin50315732.pdbqt 319,1 84,16 -3,522 422,479 3,1312 7 2 0 6,1889 0,726031240204259
50315457 BDB-kin50315733.mol2, BDB-kin50315733.pdbqt 368,03 107,63 -2,516 493,558 2,2913 9 3 0 9,6003 0,4245483171928
50315458 BDB-kin50315734.mol2, BDB-kin50315734.pdbqt 333,86 93,39 -3,221 450,489 2,7023 8 2 0 3,105 0,712344037223133
50315459 BDB-kin50315735.mol2, BDB-kin50315735.pdbqt 306,84 84,16 -3,154 408,453 2,7333 7 2 0 5,7727 0,775852433800143
50315460 BDB-kin50315736.mol2, BDB-kin50315736.pdbqt 380,29 107,63 -2,884 507,585 2,6892 9 3 1 6,0433 0,666587608186866
50315461 BDB-kin50315737.mol2, BDB-kin50315737.pdbqt 344,92 87,4 -2,821 463,532 2,7552 8 2 0 8,393 0,726360055186485
50315462 BDB-kin50315738.mol2, BDB-kin50315738.pdbqt 332,36 93,39 -3,319 450,489 2,6458 8 2 0 3,5063 0,714218890797176
50315463 BDB-kin50315739.mol2, BDB-kin50315739.pdbqt 305,34 84,16 -3,252 408,453 2,6768 7 2 0 5,6768 0,772654902661872
50315464 BDB-kin50315740.mol2, BDB-kin50315740.pdbqt 368,03 107,63 -2,516 493,558 2,2913 9 3 0 5,7192 0,706446984146738
50315465 BDB-kin50315741.mol2, BDB-kin50315741.pdbqt 280,5 71,69 -5,516 383,402 4,5496 5 2 0 2,7386 0,289987948547905
50315466 BDB-kin50315742.mol2, BDB-kin50315742.pdbqt 255,26 80,92 -4,124 351,357 3,1273 6 2 0 3,1579 0,723844521624144
50315652 BDB-kin50315743.mol2, BDB-kin50315743.pdbqt 338,03 96,01 -7,958 476,481 5,7752 5 1 1 -4,7801 0,136575682001058
50315725 BDB-kin50315744.mol2, BDB-kin50315744.pdbqt 236,66 74,27 -3,689 310,356 1,3244 6 2 0 1,2622 0,748844552596888
50315726 BDB-kin50315745.mol2, BDB-kin50315745.pdbqt 228,81 54,04 -4,149 294,357 2,2656 5 1 0 1,3039 0,707669818680694
50315727 BDB-kin50315746.mol2, BDB-kin50315746.pdbqt 222,9 74,27 -3,509 296,329 1,576 6 2 0 1,3643 0,770762530994737
These data are only available for scientific research purposes.