methocarbamol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
241.24 6 2 1.23 JN_51 None Not checked

SMILES: COc1ccccc1OCC(O)COC(N)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[methocarbamol] 1.25 28.0 HPLC, NMR spectroscopy Ekaterini Antoniadou-Vyza 1997

methoxybenzene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
108.14 1 0 1.70 SF_C1321 None Not checked

SMILES: COc1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[methoxybenzene] 1.72 7.2 25.0 Circular dichroism spectroscopy Keith 0. Hodgson 1979
[azobenzene-capped b-cyclodextrin (cis)](1).[methoxybenzene] 1.30 7.2 25.0 Circular dichroism spectroscopy Keith 0. Hodgson 1979
[azobenzene-capped b-cyclodextrin (cis)](2).[methoxybenzene] 2.11 7.2 25.0 Circular dichroism spectroscopy Keith 0. Hodgson 1979

methyl 1-naphthyl sulfide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
174.26 1 0 3.56 NT_c0213 None Not checked

SMILES: CSc1cccc2ccccc12

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[methyl 1-naphthyl sulfide] 3.08 Spectrophotometric method Hidetake Sakuraba 1991

methyl 2-[4-(2,4-dichlorophenoxy) phenoxy]propionate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
341.19 4 0 4.73 SF_C74 None Not checked

SMILES: COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[methyl 2-[4-(2,4-dichlorophenoxy) phenoxy]propionate] 3.68 7.0 20.0 UV/VIS spectrometry, HPLC method Weiping Liu 2005

methyl 2-naphthyl sulfide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
174.26 1 0 3.56 NT_c0214 None Not checked

SMILES: CSc1ccc2ccccc2c1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[methyl 2-naphthyl sulfide] 3.20 Spectrophotometric method Hidetake Sakuraba 1991

methyl cinnamate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
162.19 2 0 1.87 SF_C544 None Not checked

SMILES: COC(=O)C=Cc1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[methyl cinnamate] 2.33 Kasi Pitchumani 2005
[b-Cyclodextrin](1).[methyl cinnamate] 2.36 Kasi Pitchumani 2005
[g-Cyclodextrin](1).[methyl cinnamate] 2.45 Kasi Pitchumani 2005

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 SF_C1815 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[methyl orange] 3.55 7.2 25.0 Circular dichroism spectroscopy Yu Liu 2001
[b-Cyclodextrin](1).[methyl orange] 2.55 0.60 0.7 25.0 UV and NMR spectroscopy Yoshihisa Matsui 1994
[b-Cyclodextrin](1).[methyl orange] 3.55 7.2 25.0 circular dichroism spectroscopy Yu Liu 2001
[b-Cyclodextrin](1).[methyl orange] 3.55 7.2 25.0 circular dichroism Yu Liu 2002
[b-Cyclodextrin](1).[methyl orange] 1.84 25.0 spectrophotometry Hans-Jürgen Buschmann 1997
[b-Cyclodextrin](1).[methyl orange] 2.43 1.1 25.0 spectrophotometry Hans-Jürgen Buschmann 1997
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[methyl orange] 4.36 7.2 25.0 Circular dichroism spectroscopy Yu Liu 2001
[N,N'-bis(2-aminoethyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[methyl orange] 3.73 7.2 25.0 Circular dichroism spectroscopy Yu Liu 2001
[N,N'-bis(5-amino-3-azapentyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6- deoxy-b-cyclodextrin)](1).[methyl orange] 4.12 7.2 25.0 Circular dichroism spectroscopy Yu Liu 2001
[N,N'-bis(8-amino-3,6-diazaoctyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[methyl orange] 4.62 7.2 25.0 Circular dichroism spectroscopy Yu Liu 2001

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 SF_C539 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[methyl orange] 2.28 5.0 25.0 UV electronic spectroscopy O. A. C. Antunes 2006

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 SF_C561 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[methyl orange] 2.83 0.00 1.0 25.0 UV-vis spectroscopy Agustín G. Asuero 2006
[a-Cyclodextrin](1).[methyl orange] 3.01 1.08 0.7 25.0 UV and NMR spectroscopy Yoshihisa Matsui 1994
[a-Cyclodextrin](1).[methyl orange] -0.11 -0.75 spectrophotometry C.van Hooidonk 1970

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 SF_C613 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[poly(allylamine) hydrochloride and sulfonated a-cyclodextrin on a solid surface](1).[methyl orange] 1.85 7.5 20.0 UV-vis spectroscopy Jun-ichi Anzai 2004

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 SF_C664 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](2).[methyl orange] 4.76 2.60 7.0 25.0 UV-vis spectroscopy Yoshimi Sueishi 2004
[b-Cyclodextrin](2).[methyl orange] 5.32 3.48 25.0 UV-vis spectroscopy Yoshimi Sueishi 2004

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 SF_C746 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6,6'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[methyl orange] 4.24 7.2 25.0 Circular dichroism spectroscopy Yoshihisa Inoue 1999
[6,6'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[methyl orange] 4.24 7.2 25.0 circular dichroism Yu Liu 2002
[2,2'-Trimethylenediseleno-Bridged Bis-(b-cyclodextrin)](1).[methyl orange] 4.57 7.2 25.0 Circular dichroism spectroscopy Yoshihisa Inoue 1999

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 JN_296 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[6,6'-o-Phenylenediseleno-bridged bis(b-cyclodextrin)](1).[methyl orange] 4.81 7.2 25.0 circular dichroism Yu Liu 2002

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 JN_O_2 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef

methyl orange
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
327.33 5 0 4.15 JN_294 None Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[diethylenetriamino bridged bis(BCD)](1).[methyl orange] 4.54 25.0 circular dichroism spectroscopy Yu Liu 2001
[diethylenetriamino bridged bis(BCD) copper(II) complex](1).[methyl orange] 4.29 25.0 circular dichroism spectroscopy Yu Liu 2001
[ethylenediamino bridged bis(BCD)](1).[methyl orange] 4.39 25.0 circular dichroism spectroscopy Yu Liu 2001
[tetraethylenepentaamino bridged bis(BCD)](1).[methyl orange] 3.81 25.0 circular dichroism spectroscopy Yu Liu 2001