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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115593 BDB-kin115749.mol2, BDB-kin115749.pdbqt 309,71 58,98 -3,169 370,455 3,9464 5 0 0 -1,6661 0,428753521449282
115594 BDB-kin115750.mol2, BDB-kin115750.pdbqt 316,06 58,98 -3,483 388,445 4,0472 5 0 0 -3,0061 0,3675690430932
115595 BDB-kin115751.mol2, BDB-kin115751.pdbqt 250,66 77,58 -3,173 301,352 2,4987 5 1 0 -5,6089 0,258233902472618
115596 BDB-kin115752.mol2, BDB-kin115752.pdbqt 267,86 77,58 -3,607 355,322 3,0031 5 1 0 -12,799 0,39164837025023
115597 BDB-kin115753.mol2, BDB-kin115753.pdbqt 273 77,58 -4,306 337,385 3,4177 5 1 0 -5,6089 0,358789916124401
115598 BDB-kin115754.mol2, BDB-kin115754.pdbqt 260,66 86,81 -3,348 317,351 2,3822 6 1 0 -5,3875 0,423760760666811
115599 BDB-kin115755.mol2, BDB-kin115755.pdbqt 250,66 77,58 -3,173 301,352 2,4987 5 1 0 -5,6089 0,430389837454364
115600 BDB-kin115756.mol2, BDB-kin115756.pdbqt 304 80,82 -4,322 370,459 3,2852 6 1 0 -3,1692 0,364750117449031
115601 BDB-kin115757.mol2, BDB-kin115757.pdbqt 264,92 77,58 -3,786 327,39 3,2656 5 1 0 -3,9416 0,393986587855096
115602 BDB-kin115758.mol2, BDB-kin115758.pdbqt 264,42 77,58 -3,332 315,379 2,9143 5 1 0 -5,953 0,248745781681875
115603 BDB-kin115759.mol2, BDB-kin115759.pdbqt 281,62 77,58 -3,766 369,349 3,4187 5 1 0 -13,143 0,370781292899671
115604 BDB-kin115760.mol2, BDB-kin115760.pdbqt 286,76 77,58 -4,465 351,412 3,8333 5 1 0 -5,953 0,334272384667991
115605 BDB-kin115761.mol2, BDB-kin115761.pdbqt 274,42 86,81 -3,507 331,378 2,7978 6 1 0 -5,6335 0,407781979166314
115606 BDB-kin115762.mol2, BDB-kin115762.pdbqt 264,42 77,58 -3,332 315,379 2,9143 5 1 0 -5,953 0,414576302803125
115607 BDB-kin115763.mol2, BDB-kin115763.pdbqt 314 90,05 -3,592 386,458 2,5368 7 1 0 -2,928 0,408780834105947
115608 BDB-kin115764.mol2, BDB-kin115764.pdbqt 274,42 86,81 -3,507 331,378 2,7978 6 1 0 -5,6335 0,407781979166314
115609 BDB-kin115765.mol2, BDB-kin115765.pdbqt 286,98 80,82 -3,525 344,421 2,7642 6 1 0 -3,8691 0,410899330463416
115610 BDB-kin115766.mol2, BDB-kin115766.pdbqt 278,68 77,58 -3,945 341,417 3,6812 5 1 0 -4,237 0,369407536029557
115611 BDB-kin115767.mol2, BDB-kin115767.pdbqt 319,73 85 -3,843 385,47 3,6196 6 1 0 -0,0835 0,526562239384213
115612 BDB-kin115768.mol2, BDB-kin115768.pdbqt 319,23 94,23 -3,31 399,453 2,776 7 1 0 -1,0334 0,489885946393374
These data are only available for scientific research purposes.