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Records 21 to 40 of 321
 
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TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
112953-11-4 kin-112953-11-4.mol2, kin-112953-11-4.pdbqt 89,68 -6,45 482,538 4,2142 8 3 0 5,0622 0,38826857371658
1129669-05-1 kin-1129669-05-1.mol2, kin-1129669-05-1.pdbqt 65,2 -3,751 377,418 2,343 5 2 0 4,162 0,773193093334102
1144068-46-1 kin-1144068-46-1.mol2, kin-1144068-46-1.pdbqt 115,66 -6,363 519,604 2,208 11 2 2 -0,3409 0,298167609355528
115610-29-2 kin-115610-29-2.mol2, kin-115610-29-2.pdbqt 66,76 -2,97 284,31 3,0586 4 2 0 -3,2441 0,282873600487395
116313-73-6 kin-116313-73-6.mol2, kin-116313-73-6.pdbqt 133,86 -2,812 231,167 0,2348 7 2 0 -14,232 0,463756188986619
116355-83-0 kin-116355-83-0.mol2, kin-116355-83-0.pdbqt 288,51 -4,506 721,834 0,3646 16 8 3 -10,149 0,214824603125414
116970-50-4 kin-116970-50-4.mol2, kin-116970-50-4.pdbqt 93,46 -1,849 251,309 0,0603 5 2 0 -0,87247 0,616621233261369
1173022-21-3 kin-1173022-21-3.mol2, kin-1173022-21-3.pdbqt 72,19 -6,66 314,299 3,6949 5 1 0 1,4769 0,171663808769608
118409-57-7 kin-118409-57-7.mol2, kin-118409-57-7.pdbqt 88,04 -2,352 186,17 1,1564 4 2 0 -9,1114 0,473044391046756
118409-58-8 kin-118409-58-8.mol2, kin-118409-58-8.pdbqt 108,27 -2,056 202,169 0,8107 5 3 0 -9,1114 0,477308577482954
118458-54-1 kin-118458-54-1.mol2, kin-118458-54-1.pdbqt 77,75 -6,039 325,326 3,4533 5 3 0 1,53 0,495420176217238
1187595-84-1 kin-1187595-84-1.mol2, kin-1187595-84-1.pdbqt 128,94 -3,749 371,424 0,9715 9 1 0 -2,9215 0,422222095496221
1188890-41-6 kin-1188890-41-6.mol2, kin-1188890-41-6.pdbqt 78,46 -4,96 501,045 3,6817 6 1 1 5,9946 0,504794722096733
119139-23-0 kin-119139-23-0.mol2, kin-119139-23-0.pdbqt 77,75 -3,555 327,342 1,5839 5 3 0 3,3968 0,826828908913365
119567-63-4 kin-119567-63-4.mol2, kin-119567-63-4.pdbqt 43,7 -3,401 327,551 5,2453 3 2 1 -19,274 0,311034694174925
1195765-45-7 kin-1195765-45-7.mol2, kin-1195765-45-7.pdbqt 147,48 -7,001 519,571 4,5416 7 2 1 -3,4961 0,167382270555533
1195768-06-9 kin-1195768-06-9.mol2, kin-1195768-06-9.pdbqt 147,48 -7,001 519,571 4,5416 7 2 1 -3,4961 0,167382270555533
1201438-56-3 kin-1201438-56-3.mol2, kin-1201438-56-3.pdbqt 86,8 -6,979 416,871 3,9288 7 2 0 4,0599 7,25218127197052E-02
120166-69-0 kin-120166-69-0.mol2, kin-120166-69-0.pdbqt 67,67 -5,831 489,589 4,4557 4 1 0 4,4233 0,242960035027743
120685-11-2 kin-120685-11-2.mol2, kin-120685-11-2.pdbqt 77,73 -7,859 570,647 6,2066 8 1 2 5,4432 0,210294044396854
These data are only available for scientific research purposes.