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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3358 3358.mol2, BDB-kin3358.pdbqt 443,28 74,54 -2,912 702,661 3,4652 8 2 1 4,4314 0,27755613227682
3359 3359.mol2, BDB-kin3359.pdbqt 556,68 147,98 -8,476 855,696 5,1624 10 6 3 -26,091 9,52525204471634E-02
3360 3360.mol2, BDB-kin3360.pdbqt 556,68 147,98 -8,476 934,656 5,1624 10 6 3 -26,091 5,66773570228059E-02
3361 3361.mol2, BDB-kin3361.pdbqt 456,38 141,82 -6,6 742,642 3,3774 8 6 2 -3,6684 0,086627374258723
3487 3487.mol2, BDB-kin3487.pdbqt 444,57 107,54 -7,885 595,533 5,2384 10 3 2 10,016 0,235330785985224
3488 3488.mol2, BDB-kin3488.pdbqt 456,91 98,31 -9,473 615,567 6,5028 9 3 2 10,151 6,45430561836993E-02
3489 3489.mol2, BDB-kin3489.pdbqt 399,98 83,04 -8,089 517,503 6,2978 7 2 2 3,1877 0,13488746395735
3490 3490.mol2, BDB-kin3490.pdbqt 369,4 69,54 -6,73 474,438 4,2324 7 1 0 6,9052 0,228785775354024
3491 3491.mol2, BDB-kin3491.pdbqt 391,47 110,09 -7,775 506,504 5,1369 7 3 2 5,4712 4,95225571302079E-02
3492 3492.mol2, BDB-kin3492.pdbqt 378,79 104,35 -7,486 489,453 4,1205 8 3 0 5,9195 0,126500032900236
3362 3362.mol2, BDB-kin3362.pdbqt 456,38 141,82 -6,6 742,642 3,3774 8 6 2 -3,6684 0,086627374258723
3428 3428.mol2, BDB-kin3428.pdbqt 291,12 105,82 -7,901 405,288 4,189 7 3 0 0,94788 0,336439480355788
3429 3429.mol2, BDB-kin3429.pdbqt 211,78 90,71 -6,669 306,155 2,9328 5 2 0 -1,6419 0,303579888827138
3430 3430.mol2, BDB-kin3430.pdbqt 318,34 79,96 -6,946 419,359 4,2239 6 2 0 5,6596 0,244746863752918
3431 3431.mol2, BDB-kin3431.pdbqt 397,68 95,07 -8,178 518,491 5,4801 8 3 2 5,8989 0,155551687451339
3432 3432.mol2, BDB-kin3432.pdbqt 205,46 90,71 -5,885 265,319 2,4086 5 2 0 -1,8789 0,205876245206333
3433 3433.mol2, BDB-kin3433.pdbqt 284,8 105,82 -7,117 364,452 3,6648 7 3 0 0,8931 0,233507599485561
3434 3434.mol2, BDB-kin3434.pdbqt 312,02 79,96 -6,162 378,522 3,6997 6 2 0 5,6605 0,299882667294553
3435 3435.mol2, BDB-kin3435.pdbqt 391,36 95,07 -7,394 477,655 4,9559 8 3 0 5,8767 0,192120854739188
3436 3436.mol2, BDB-kin3436.pdbqt 218,2 90,71 -6,865 395,057 3,1712 5 2 0 -3,595 0,241012030661062
These data are only available for scientific research purposes.