malic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
134.09 5 3 -1.09 VR_C123 None Not checked

SMILES: OC(CC(O)=O)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[malic acid] 0.15 28.0 HPLC E. Fenyvesi 1999
[b-Cyclodextrin](1).[malic acid] 0.72 freezing point depression method, osmotic measurements Masahiko Suzuki 1993

malic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
134.09 5 3 -1.09 JN_305 None Not checked

SMILES: OC(CC(O)=O)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[malic acid] 0.59 0.23 freezing point depression method, osmotic measurements Masahiko Suzuki 1993
[g-Cyclodextrin](1).[malic acid] 0.23 -0.52 freezing point depression method, osmotic measurements Masahiko Suzuki 1993

maltoheptaose
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0057 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[maltoheptaose](1).[(P)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid] 1.91 0.85 7.0 25.0 NMR spectroscopy George W. Gokel 2003
[maltoheptaose](1).[(M)-1,12-dimethylbenzo[c]phenantrene-5,8-dicarboxylic acid] 1.65 0.70 7.0 25.0 NMR spectroscopy George W. Gokel 2003
[maltoheptaose](1).[anthraquinone-2-sulfonic acid sodium salt] 3.55 6.0 25.0 Circular dichroism spectroscopy Vincenzo Cucinotta 1998
[maltoheptaose](1).[anthraquinone-2-sulfonic acid sodium salt] 2.91 9.5 25.0 Circular dichroism spectroscopy Vincenzo Cucinotta 1998

manganese(III) tetrakis(4-carboxyphenyl) porphyrin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
845.71 10 5 6.20 JN_AK_2 None Not checked

SMILES: [Mn+3].OC(=O)c1ccc(cc1)n2c3cc4ccc(cc5[nH]c(cc5)cc6ccc(n6)c(c7ccc(cc7)C(O)=O)c2c(c8ccc(cc8)C(O)=O)c3c9ccc(cc9)C(O)=O)n4

Supramolecules

Namelog KSDpHT(°C)MethodRef
[heptakis(2,3,6-tri-O-2-(2-(2-methoxyethoxy)ethoxy)ethyl)-β-cyclodextrin ](1).[manganese(III) tetrakis(4-carboxyphenyl) porphyrin] 6.08 7.4 NMR spectroscopy John T. Groves 2004

manganese(III) tetrakis(4-carboxyphenyl) porphyrin

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
845.71 10 5 6.20 JN_AK_6 None Not checked

SMILES: [Mn+3].OC(=O)c1ccc(cc1)n2c3cc4ccc(cc5[nH]c(cc5)cc6ccc(n6)c(c7ccc(cc7)C(O)=O)c2c(c8ccc(cc8)C(O)=O)c3c9ccc(cc9)C(O)=O)n4

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6A-N-dansylpermethylated-ß-cyclodextrin (Dan-NH-TMCD)](2).[manganese(III) tetrakis(4-carboxyphenyl) porphyrin ] 11.20 UV-Vis spectroscopy John T. Groves 2004

manganese(III) tetrakis(4-sulfonatopheny1)porphine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
3012.62 30 6 20.42 SF_C1365 None Not checked

SMILES: O=S(C1=CC=C(C2=C3C=CC(C(C4=CC=C(S(=O)([O-])=O)C=C4)=C5C=CC(N5)=C(C6=CC=C(S(=O)([O-])=O)C=C6)C(C=C7)=NC7=C(C8=CC=C(S(=O)([O-])=O)C=C8)C9=CC=C2N9)=N3)C=C1)([O-])=O.O=S(C%10=CC=C(C%11=C%12C=CC(C(C%13=CC=C(S(=O)([O-])=O)C=C%13)=C%14C=CC(N%14)=C(C%15=CC=C(S(=O)([O-])=O)C=C%15)C(C=C%16)=NC%16=C(C%17=CC=C(S(=O)([O-])=O)C=C%17)C%18=CC=C%11N%18)=N%12)C=C%10)([O-])=O.O=S(C%19=CC=C(C%20=C%21C=CC(C(C%22=CC=C(S(=O)([O-])=O)C=C%22)=C%23C=CC(N%23)=C(C%24=CC=C(S(=O)([O-])=O)C=C%24)C(C=C%25)=NC%25=C(C%26=CC=C(S(=O)([O-])=O)C=C%26)C%27=CC=C%20N%27)=N%21)C=C%19)([O-])=O.[Mn+3].[Mn+3].[Mn+3].[Mn+3]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](2).[manganese(III) tetrakis(4-sulfonatopheny1)porphine] 0.43 7.0 25.0 UV-vis spectroscopy Robert G. Bryant 1995
[b-Cyclodextrin](2).[manganese(III) tetrakis(4-sulfonatopheny1)porphine] 1.97 7.0 25.0 UV-vis spectroscopy Robert G. Bryant 1995
[g-Cyclodextrin](2).[manganese(III) tetrakis(4-sulfonatopheny1)porphine] 1.61 7.0 25.0 UV-vis spectroscopy Robert G. Bryant 1995

manganese(III) tetrakis(4-sulfonatophenyl) porphyrin

MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
3012.62 30 3 22.04 JN_AK_5 None Not checked

SMILES: [Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-][S](=O)(=O)c1ccc(cc1)n2c3cc4ccc(cc5[nH]c(cc5)cc6ccc(n6)c(c7ccc(cc7)[S]([O-])(=O)=O)c2c(c8ccc(cc8)[S]([O-])(=O)=O)c3c9ccc(cc9)[S]([O-])(=O)=O)n4.[O-][S](=O)(=O)c%10ccc(cc%10)n%11c%12cc%13ccc(cc%14[nH]c(cc%14)cc%15ccc(n%15)c(c%16ccc(cc%16)[S]([O-])(=O)=O)c%11c(c%17ccc(cc%17)[S]([O-])(=O)=O)c%12c%18ccc(cc%18)[S]([O-])(=O)=O)n%13.[O-][S](=O)(=O)c%19ccc(cc%19)n%20c%21cc%22ccc(cc%23[nH]c(cc%23)cc%24ccc(n%24)c(c%25ccc(cc%25)[S]([O-])(=O)=O)c%20c(c%26ccc(cc%26)[S]([O-])(=O)=O)c%21c%27ccc(cc%27)[S]([O-])(=O)=O)n%22

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6A-N-dansylpermethylated-ß-cyclodextrin (Dan-NH-TMCD)](2).[manganese(III) tetrakis(4-sulfonatophenyl) porphyrin ] 10.85 UV-Vis spectroscopy John T. Groves 2004

maprotilin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C1823 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[maprotilin] 3.68 1.30 6.0 25.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[maprotilin] 3.97 1.48 6.0 5.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[maprotilin] 3.87 1.85 6.0 15.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[maprotilin] 3.51 1.30 6.0 37.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[a-Cyclodextrin](1).[maprotilin] 2.09 0.90 6.0 25.0 Measurements with ion selective electrode Panayotis E. Macheras 1992

mefenamic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
241.29 3 2 3.82 NT_b0149 None Not checked

SMILES: Cc1cccc(Nc2ccccc2C(O)=O)c1C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[mefenamic acid] 4.74 0.04 Bjerrum method Hladon, Teresa 1999
[b-Cyclodextrin](4).[mefenamic acid] 3.60 0.07 Bjerrum method Hladon, Teresa 1999

melarsoprol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
398.34 10 4 1.55 SF_C391 None Not checked

SMILES: Nc1nc(N)nc(Nc2ccc(cc2)[As]3SCC(CO)S3)n1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[melarsoprol] 3.97 HPLC method Stéphane Gibaud 2002

meloxicam
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
351.40 7 2 3.20 SF_C588 None Not checked

SMILES: CN1C(=C(/O)Nc2sc(C)cn2)/C(=O)c3ccccc3[S]1(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[meloxicam] 2.23 0.69 7.0 28.0 UV-vis spectroscopy Buchi N. Nalluri 2005

mepivacaine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
246.35 3 1 2.74 JN_43 None Not checked

SMILES: CN1CCCCC1C(=O)Nc2c(C)cccc2C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[mepivacaine] 1.71 0.11 25.0 HPLC Gilles Dollo 1996
[b-Cyclodextrin](1).[mepivacaine] 1.73 0.30 37.0 HPLC Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[mepivacaine] 1.70 -0.52 25.0 HPLC Gilles Dollo 1996
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[mepivacaine] 1.76 0.28 37.0 HPLC Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[mepivacaine] 1.58 0.04 25.0 HPLC Gilles Dollo 1996
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[mepivacaine] 1.62 0.11 37.0 HPLC Gilles Dollo 1996