• Drug Bank
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Records 81 to 100 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
DB00193 mol2, pdbqt 32,7 -2,182 263,38 2,2768 3 1 0 -1,5557 0,537736607012272 BBB+ HIA+ Caco2+
DB00194 mol2, pdbqt 139,54 -2,325 267,244 -1,7396 9 4 0 -0,90819 0,604608564119652 BBB+ HIA+ Caco2-
DB00195 mol2, pdbqt 50,72 -2,908 307,432 2,2062 4 2 0 4,0444 0,868862411699062 BBB- HIA+ Caco2+
DB00196 mol2, pdbqt 81,65 -2,175 306,275 -0,1089 7 1 0 3,0382 0,904744144400771 BBB+ HIA+ Caco2+
DB00198 mol2, pdbqt 90,65 -2,448 312,408 0,9333 6 2 0 -1,4998 0,538145347245679 BBB- HIA+ Caco2-
DB00199 mol2, pdbqt 193,91 -3,645 733,933 1,6719 14 5 2 11,291 0,466073257169356 BBB- HIA+ Caco2-
DB00200 mol2, pdbqt 327,84 -8,049 1256,66 -1,5249 28 0 2 -15,58 7,83460907529312E-02 BBB- HIA+ Caco2-
DB00201 mol2, pdbqt 58,44 -1,144 194,193 -0,1784 6 0 0 2,5858 0,203140930994883 BBB+ HIA+ Caco2+
DB00202 mol2, pdbqt 59,08 0,954 290,402 -2,3872 6 0 0 -0,50095 0,529471720019029 BBB+ HIA- Caco2+
DB00203 mol2, pdbqt 117,51 -2,164 474,584 0,9647 10 1 0 5,9489 0,758362637690874 BBB+ HIA+ Caco2+
DB00204 mol2, pdbqt 121,57 -4,666 441,571 1,235 8 2 0 8,7396 0,652647944354824 BBB+ HIA+ Caco2-
DB00205 mol2, pdbqt 77,82 -4,909 248,716 2,5414 4 2 0 -2,0285 8,61088445735209E-02 BBB+ HIA+ Caco2+
DB00206 mol2, pdbqt 117,78 -4,446 608,686 3,5754 11 1 2 2,322 0,25674937496717 BBB+ HIA+ Caco2+
DB00207 mol2, pdbqt 180,08 -3,094 748,992 1,6569 14 5 2 13,854 0,48171615764111 BBB- HIA- Caco2-
DB00208 mol2, pdbqt 31,48 -3,548 263,791 3,269 1 0 0 4,3093 0,808437657513109 BBB+ HIA+ Caco2+
DB00209 mol2, pdbqt 49,77 -3,913 392,517 2,3376 4 1 0 4,1852 0,748497193108892 BBB+ HIA- Caco2+
DB00210 mol2, pdbqt 46,53 -8,047 412,527 6,0586 3 1 1 -0,92 5,29277773396137E-02 BBB+ HIA+ Caco2+
DB00211 mol2, pdbqt 93,81 -0,943 254,285 -1,0318 6 3 0 3,0413 0,943634488488121 BBB- HIA+ Caco2-
DB00212 mol2, pdbqt 176,84 -5,223 630,848 2,9267 10 5 1 -10,041 0,199836818864741 BBB- HIA+ Caco2-
DB00213 mol2, pdbqt 105,54 -2,655 383,374 1,5736 7 1 0 -4,4787 0,428801004967046 BBB- HIA+ Caco2+
Page 
 of 344
Records 81 to 100 of 6870
These data are only available for scientific research purposes.