resorcinol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
110.11 2 2 1.10 SF_C418 None Not checked

SMILES: Oc1cccc(O)c1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[resorcinol] 2.66 25.0 UV-vis spectroscopy Jun-Min Wan 2006
[b-Cyclodextrin](1).[resorcinol] 2.56 30.0 UV-vis spectroscopy Jun-Min Wan 2006
[b-Cyclodextrin](1).[resorcinol] 2.47 35.0 UV-vis spectroscopy Jun-Min Wan 2006
[b-Cyclodextrin](1).[resorcinol] 2.29 40.0 UV-vis spectroscopy Jun-Min Wan 2006

retinal
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
284.44 1 0 5.72 SF_C1690 None Not checked

SMILES: CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[retinal] 3.56 25.0 UV-vis spectroscopy Qing-Xiang Guo 1995
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[retinal] 3.75 25.0 UV-vis spectroscopy Qing-Xiang Guo 1995

retinoic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
300.44 2 1 5.60 SF_C1691 None Not checked

SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)C(C)(C)CCC1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[retinoic acid] 3.53 25.0 UV-vis spectroscopy Qing-Xiang Guo 1995
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[retinoic acid] 3.75 25.0 UV-vis spectroscopy Qing-Xiang Guo 1995

retinol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
286.45 1 1 5.51 SF_C1689 None Not checked

SMILES: CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[retinol] 3.56 25.0 UV-vis spectroscopy Qing-Xiang Guo 1995
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[retinol] 3.77 25.0 UV-vis spectroscopy Qing-Xiang Guo 1995

rhodamine B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
479.01 4 1 3.93 SF_C1209 None Not checked

SMILES: [Cl-].CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(O)=O)N(CC)CC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[rhodamine B] 3.63 7.2 25.0 Fluorescence spectroscopy Yu Liu 2003
[b-Cyclodextrin](1).[rhodamine B] 3.69 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001
[b-Cyclodextrin](1).[rhodamine B] 3.63 7.2 25.0 UV-vis spectroscopy Yu Liu 2003
[b-Cyclodextrin](1).[rhodamine B] 0.63 7.2 30.0 Fluorescence spectroscopy Yu Liu 2002
[b-Cyclodextrin](1).[rhodamine B] 0.67 7.2 35.0 Fluorescence spectroscopy Yu Liu 2002
[b-Cyclodextrin](1).[rhodamine B] 0.70 7.2 40.0 Fluorescence spectroscopy Yu Liu 2002
[N,N'-Bis(6'-(2-ethylamino)-6'-deoxycyclomaltoheptaose)benzene-1,3- or 1,4-dicarboxylic acid 4,6-or 2,5-diamide](1).[rhodamine B] 4.10 7.2 25.0 Fluorescence spectroscopy Yu Liu 2003

rhodamine B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
479.01 4 1 3.93 SF_C502 None Not checked

SMILES: [Cl-].CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(O)=O)N(CC)CC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[N-(benzoaza-15-crown-5)acylaminomethylene tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[rhodamine B] 3.84 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](1).[rhodamine B] 3.94 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[N-(benzoaza-15-crown-5)acylaminomethylene tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[rhodamine B] 4.26 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004
[4′,5′-dimethylene-benzo-15-crown-5 tethered 6-diethylenetriamino-6-deoxy-b-CD](2).[rhodamine B] 4.63 7.2 25.0 Fluorescence spectroscopy Yu Liu 2004

rhodamine B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
479.01 4 1 3.93 SF_C767 None Not checked

SMILES: [Cl-].CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(O)=O)N(CC)CC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2,2'-Bipyridine-4,4'-dicarboxy-bridged bis(6-O-b-cyclodextrin)](1).[rhodamine B] 4.44 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001
[N,N'-bis(2-aminoethyl)-2,2'-bipyridine-4,4'-dicarboxamidebridged bis(6-amino-6-deoxy-b-cyclodextrin)](1).[rhodamine B] 4.06 7.0 25.0 Fluorescence 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).[rhodamine B] 3.73 7.0 25.0 Fluorescence 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).[rhodamine B] 4.18 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001
[Bis(b-cyclodextrin)-Copper(II) Complex](1).[rhodamine B] 4.64 7.0 25.0 Fluorescence spectroscopy Yu Liu 2001

rhodamine B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
479.01 4 1 3.93 SF_C824 None Not checked

SMILES: [Cl-].CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(O)=O)N(CC)CC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[organoselenium-bridged bis(b-cyclodextrin)](1).[rhodamine B] 4.07 7.2 25.0 UV-vis spectroscopy Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 3](1).[rhodamine B] 3.75 7.2 25.0 UV-vis spectroscopy Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 4](1).[rhodamine B] 3.70 7.2 25.0 UV-vis spectroscopy Yu Liu 2003
[oligo(ethylenediamino)-tethered organoselenium-bridged bis(b-cyclodextrin) der. 5](1).[rhodamine B] 3.65 7.2 25.0 UV-vis spectroscopy Yu Liu 2003

rhodamine B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
479.01 4 1 3.93 SF_C854 None Not checked

SMILES: [Cl-].CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(O)=O)N(CC)CC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.49 7.2 25.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.58 7.2 30.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.63 7.2 35.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.66 7.2 40.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.68 7.2 45.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.48 7.2 25.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.54 7.2 30.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.60 7.2 35.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.66 7.2 40.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(benzylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.69 7.2 45.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.50 7.2 25.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.59 7.2 30.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.62 7.2 35.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)ethyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.66 7.2 40.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.52 7.2 25.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.56 7.2 30.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.61 7.2 35.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.63 7.2 40.0 Fluorescence spectroscopy Yu Liu 2002
[mono-[6-[[(cinnamylideneamino)propyl]amino]-6-deoxy]-β-cyclodextrin](1).[rhodamine B] 0.66 7.2 45.0 Fluorescence spectroscopy Yu Liu 2002

rhodamine B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
479.01 4 1 3.93 SF_C942 None Not checked

SMILES: [Cl-].CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(O)=O)N(CC)CC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-beta-cyclodextrin)](1).[rhodamine B] 3.63 7.2 25.0 Fluorescence spectroscopy Yu Liu 2003
[m-phenylenediimino-bridged bis(6-imino-6-deoxy-β-cyclodextrin)](1).[rhodamine B] 3.71 7.2 25.0 Fluorescence spectroscopy Yu Liu 2003
[p-phenylenediamino-bridged bis(6-amino-6-deoxy-β-cyclodextrin)](1).[rhodamine B] 3.83 7.2 25.0 Fluorescence spectroscopy Yu Liu 2003
[4,4'-bianilino-bridged bis(6-amino-6-deoxy-β-cyclodextrin)](1).[rhodamine B] 3.83 7.2 25.0 Fluorescence spectroscopy Yu Liu 2003

rhodamine-B
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
479.01 3 1 2.57 SF_C612 None Not checked

SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[rhodamine-B] 3.66 7.2 Fluorimetric titration Paolo Caliceti 2004
[b-cyclodextrins/PEG/folic acid 1:1:1 molar ratio mixture](1).[rhodamine-B] 3.65 7.2 Fluorimetric titration Paolo Caliceti 2004
[6-Mono{folicacid-g-[O,O'-bis(2-aminopropyl)polypropylene glycol-block-poly(ethylene glycol)-block-polypropylene glycol]}-b-cyclodextrin](1).[rhodamine-B] 3.48 7.2 Fluorimetric titration Paolo Caliceti 2004

riboflavin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
376.36 8 5 -1.72 JN_23 None Not checked

SMILES: Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[riboflavin] 3.52 2.32 UV, NMR and fluorescence spectroscopy Gregory Gregoriadis 1996

riboflavin 5'-(dihydrogen phosphate) monosodium salt
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
478.33 10 5 -1.17 JN_189 None Not checked

SMILES: CC1=CC2=C(C=C1C)N=C(C(N2C[C@H]([C@H]([C@H](COP(O)(O)=O)O)O)[O-])=N3)C(NC3=O)=O.[Na+]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[riboflavin 5'-(dihydrogen phosphate) monosodium salt] 3.22 2.19 fluorescence spectroscopy Yannis L. Loukas 1997
[a-Cyclodextrin](2).[riboflavin 5'-(dihydrogen phosphate) monosodium salt] 2.54 1.64 fluorescence spectroscopy Yannis L. Loukas 1997
[g-Cyclodextrin](1).[riboflavin 5'-(dihydrogen phosphate) monosodium salt] 3.45 2.52 fluorescence spectroscopy Yannis L. Loukas 1997

ricobendazole
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
281.33 5 2 3.20 JN_201 None Not checked

SMILES: CCC[S](=O)c1ccc2nc(NC(=O)OC)[nH]c2c1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[ricobendazole] 2.03 differential scanning calorimetry Natalie J. Medlicott 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ricobendazole] 2.49 25.0 HPLC Natalie J. Medlicott 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ricobendazole] 2.14 differential scanning calorimetry Natalie J. Medlicott 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[ricobendazole] 2.23 differential scanning calorimetry Natalie J. Medlicott 2005

rimantidine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C82 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[rimantidine] 4.55 3.08 7.0 30.0 Isothermal titration calorimetry (ITC) José Vázquez Tato 2005
[6-NH2-b-CD](1).[rimantidine] 4.29 2.85 7.0 30.0 Isothermal titration calorimetry (ITC) José Vázquez Tato 2005
[3-NH2-b-CD](1).[rimantidine] 2.38 1.79 7.0 30.0 Isothermal titration calorimetry (ITC) José Vázquez Tato 2005