• Drug Bank
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 of 344
Records 3521 to 3540 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
DB03975 mol2, pdbqt 90,61 -1,448 321,705 0,8681 2 1 0 -1,8442 0,16178973972824 BBB+ HIA+ Caco2+
DB03976 mol2, pdbqt 96,99 0,725 140,074 -2,834 4 2 0 -21,325 0,495809790061179 BBB+ HIA+ Caco2-
DB03977 mol2, pdbqt 167,49 -0,074 189,278 -3,3224 4 2 0 -17,947 0,492295207502964 BBB+ HIA- Caco2-
DB03978 mol2, pdbqt 133,93 -1,478 165,191 -0,0308 3 2 0 -4,3787 0,315466586245921 BBB- HIA+ Caco2+
DB03979 mol2, pdbqt 619,4 -6,996 734,989 9,0355 10 3 2 -56,103 7,51972041706989E-02 BBB+ HIA- Caco2-
DB03980 mol2, pdbqt 233,41 -3,52 309,347 2,3479 5 1 0 3,1648 0,82003518228104 BBB+ HIA+ Caco2+
DB03981 mol2, pdbqt 153,94 0,914 256,187 -3,6562 9 4 0 0,095216 0,741440063269779 BBB+ HIA- Caco2-
DB03982 mol2, pdbqt 243,87 -5,048 335,314 1,6749 6 2 0 -1,85 0,140378426460324 BBB+ HIA+ Caco2+
DB03983 mol2, pdbqt 280,36 -2,213 554,352 -5,8901 13 6 3 -15,118 0,20856383600373 BBB+ HIA- Caco2-
DB03984 mol2, pdbqt 356,59 -3,957 455,577 1,764 7 2 0 3,8841 0,688486351183713 BBB+ HIA+ Caco2-
DB03985 mol2, pdbqt 197,97 -2,283 208,367 3,7086 1 1 0 1,966 0,799555339465359 BBB+ HIA+ Caco2+
DB03986 mol2, pdbqt 198,42 -2,515 282,279 -2,7554 9 5 0 -4,8555 0,224559697602802 BBB+ HIA+ Caco2-
DB03987 mol2, pdbqt 261,78 -4,506 340,386 1,2361 8 2 0 2,4989 0,721428466540794 BBB+ HIA+ Caco2+
DB03988 mol2, pdbqt 109,08 -0,861 146,213 -1,6234 4 3 0 -8,3995 0,492357651728262 BBB+ HIA+ Caco2-
DB03989 mol2, pdbqt 118,01 0,251 180,155 -2,6208 6 5 0 -3,7768 0,504361353355904 BBB+ HIA- Caco2-
DB03990 mol2, pdbqt 416,2 -1,387 641,598 -4,2801 18 10 3 -6,4659 0,285282098946131 BBB- HIA- Caco2-
DB03991 mol2, pdbqt 202,05 -0,369 291,255 -3,2446 9 6 1 0,61926 0,789940657707884 BBB- HIA- Caco2-
DB03992 mol2, pdbqt 161,35 -1,343 208,216 -2,4636 5 3 0 -3,715 0,398326370768366 BBB+ HIA+ Caco2-
DB03993 mol2, pdbqt 102,14 -1,429 116,159 1,2824 2 1 0 -2,2276 0,532082916220233 BBB+ HIA+ Caco2+
DB03994 mol2, pdbqt 55,89 -0,046 61,0836 -1,274 2 2 0 -2,0495 0,119481451084343 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3521 to 3540 of 6870
These data are only available for scientific research purposes.