• Drug Bank
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Records 361 to 380 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
DB00489 mol2, pdbqt 86,81 -2,821 272,368 0,1903 5 3 0 10,594 0,549857378988492 BBB+ HIA+ Caco2-
DB00490 mol2, pdbqt 69,64 -2,334 385,51 1,8451 7 0 0 7,0074 0,851609505376908 BBB+ HIA+ Caco2-
DB00491 mol2, pdbqt 104,39 0,77 207,225 -2,6813 6 5 0 4,2706 0,976993892962478 BBB- HIA+ Caco2-
DB00492 mol2, pdbqt 120,02 -4,016 563,669 5,3486 8 1 2 -26,242 0,201188584967565 BBB- HIA+ Caco2-
DB00493 mol2, pdbqt 227,05 -2,451 455,471 -0,5074 12 3 1 17,076 0,784110904862681 BBB- HIA- Caco2-
DB00494 mol2, pdbqt 130,38 -2,369 305,289 0,7457 8 2 0 -4,6514 0,463015856236722 BBB- HIA+ Caco2-
DB00495 mol2, pdbqt 138,87 -1,445 268,252 -1,0194 9 3 0 -1,4495 0,568958995078262 BBB+ HIA+ Caco2-
DB00496 mol2, pdbqt 55,56 -3,911 426,558 3,9043 4 1 0 3,7857 0,64537718507464 BBB+ HIA+ Caco2-
DB00497 mol2, pdbqt 59 -2,69 315,368 1,1281 5 1 0 4,9034 0,895323661300744 BBB+ HIA+ Caco2+
DB00498 mol2, pdbqt 34,14 -4,033 222,242 3,1172 2 0 0 0,080991 0,360957084960636 BBB+ HIA+ Caco2+
DB00499 mol2, pdbqt 74,92 -3,626 276,213 1,9627 5 1 0 -11,448 0,163278655447926 BBB+ HIA+ Caco2+
DB00500 mol2, pdbqt 59,3 -2,773 257,288 1,58 4 1 0 2,957 0,533758948165761 BBB+ HIA+ Caco2+
DB00501 mol2, pdbqt 114,19 -2,483 252,345 -0,1748 6 3 0 0,63539 0,774410698061892 BBB- HIA+ Caco2-
DB00502 mol2, pdbqt 40,54 -4,7 375,87 4,3049 3 1 0 7,0937 0,59557599200902 BBB+ HIA+ Caco2+
DB00503 mol2, pdbqt 202,26 -6,066 720,957 4,7152 11 4 2 -7,147 0,131547626770077 BBB- HIA- Caco2-
DB00504 mol2, pdbqt 23,47 -3,711 283,414 3,5759 2 1 0 -4,6071 0,392636163266679 BBB+ HIA+ Caco2+
DB00507 mol2, pdbqt 142,35 -3,771 307,285 1,6871 8 1 0 -3,7799 0,425283564347945 BBB+ HIA+ Caco2-
DB00508 mol2, pdbqt 31,78 -4,843 352,423 4,8492 2 0 0 -1,607 0,115249017852223 BBB+ HIA+ Caco2+
DB00509 mol2, pdbqt 92,78 -7,606 776,855 1,2491 5 3 1 -10,339 0,136662851737734 BBB- HIA+ Caco2-
DB00511 mol2, pdbqt 188,9 -6,496 806,983 3,2321 14 4 2 3,8096 0,27787084321211 BBB+ HIA+ Caco2-
Page 
 of 344
Records 361 to 380 of 6870
These data are only available for scientific research purposes.