• Drug Bank
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Records 3441 to 3460 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB03891 mol2, pdbqt 465,16 -7,062 584,672 5,67 13 6 4 2,0957 0,222776134262927 BBB- HIA+ Caco2-
DB03892 mol2, pdbqt 185,24 -1,541 215,276 -3,0434 6 5 0 -13,967 0,484473887201074 BBB+ HIA+ Caco2-
DB03893 mol2, pdbqt 412,75 -1,706 679,495 -7,0982 20 8 3 -30,088 0,271053005333042 BBB+ HIA- Caco2-
DB03894 mol2, pdbqt 148,81 -2,506 171,242 1,7293 1 1 0 -0,072166 0,693042093848771 BBB+ HIA+ Caco2+
DB03895 mol2, pdbqt 284,5 -3,437 329,466 2,6067 2 0 0 -3,3892 9,20196031258226E-02 BBB+ HIA+ Caco2+
DB03896 mol2, pdbqt 136,56 4,11 257,952 -9,9547 10 5 0 -21,857 0,486991050218379 BBB+ HIA- Caco2-
DB03897 mol2, pdbqt 131,23 -1,568 166,175 1,2515 3 2 0 -2,755 0,510995293201037 BBB+ HIA+ Caco2+
DB03898 mol2, pdbqt 140,15 -1,562 201,609 -1,7916 4 3 0 -6,8255 0,485801839090566 BBB- HIA+ Caco2+
DB03899 mol2, pdbqt 251,18 -3,49 311,388 2,586 6 1 0 0,48917 0,673159706280112 BBB+ HIA+ Caco2+
DB03900 mol2, pdbqt 67,04 -0,964 74,1224 0,7904 1 1 0 -5,2647 6,39032998280018E-02 BBB+ HIA+ Caco2+
DB03901 mol2, pdbqt 88,88 -0,987 113,116 -1,0716 3 1 0 -3,7512 0,503934851378466 BBB+ HIA+ Caco2-
DB03902 mol2, pdbqt 61,7 0,066 90,0339 -1,5754 4 2 0 -6,1289 0,107429690172953 BBB+ HIA+ Caco2-
DB03903 mol2, pdbqt 354,66 -4,663 483,523 1,5902 8 1 0 -3,1498 0,06785593374036 BBB- HIA+ Caco2+
DB03904 mol2, pdbqt 69,11 -0,798 60,0558 -1,3194 3 2 0 -1,284 7,80032402962145E-02 BBB+ HIA+ Caco2-
DB03905 mol2, pdbqt 567,34 0,8 850,56 -10,482 27 11 3 -30,531 0,253286270474883 BBB- HIA- Caco2-
DB03906 mol2, pdbqt 478,13 -8,86 692,595 5,8602 8 2 2 -2,185 9,93404983251795E-02 BBB+ HIA+ Caco2-
DB03907 mol2, pdbqt 326,77 -4,013 473,401 -1,2395 15 6 2 -4,5889 0,344286458601668 BBB+ HIA+ Caco2-
DB03908 mol2, pdbqt 511,6 -4,25 642,791 1,5854 12 6 3 1,4917 0,345973567447693 BBB- HIA- Caco2-
DB03909 mol2, pdbqt 305,29 -0,758 505,209 -9,2433 17 7 3 -38,395 0,368464260485765 BBB+ HIA- Caco2-
DB03910 mol2, pdbqt 220,94 -2,164 282,435 1,2478 4 4 0 -0,84933 0,603167467013114 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3441 to 3460 of 6870
These data are only available for scientific research purposes.