hydrogen sulfide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C444 None

SMILES: S

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[hydrogen sulfide] 1.32 -0.12 22.0 HS-GCMS Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[hydrogen sulfide] 0.87 0.34 22.0 HS-GCMS Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[hydrogen sulfide] 0.70 -0.08 22.0 HS-GCMS Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[hydrogen sulfide] 0.80 -0.32 22.0 HS-GCMS Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[hydrogen sulfide] 0.05 -0.85 22.0 HS-GCMS Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[hydrogen sulfide] -0.06 -1.15 22.0 HS-GCMS Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[hydrogen sulfide] 0.22 -0.42 22.0 HS-GCMS Daniel W. Armstrong 2006

hydroquinone
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
110.11 2 2 1.10 SF_C417 None Not checked

SMILES: Oc1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[hydroquinone] 2.63 25.0 UV-vis spectroscopy Jun-Min Wan 2006
[b-Cyclodextrin](1).[hydroquinone] 2.53 30.0 UV-vis spectroscopy Jun-Min Wan 2006
[b-Cyclodextrin](1).[hydroquinone] 2.41 35.0 UV-vis spectroscopy Jun-Min Wan 2006
[b-Cyclodextrin](1).[hydroquinone] 2.27 40.0 UV-vis spectroscopy Jun-Min Wan 2006

hyodeoxycholic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
392.57 4 3 4.48 NT_a0025 None Not checked

SMILES: CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[hyodeoxycholic acid] 4.82 8.3 25.0 Absorption spectroscopy Ueno, Akihiko 1997

hyodeoxycholic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
392.57 4 3 4.48 SF_C396 None Not checked

SMILES: CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[NC0-b-CD](1).[hyodeoxycholic acid] 4.91 7.0 25.0 Fluorescence spectroscopy Hiroshi Ikeda 2005
[NC4-b-CD](1).[hyodeoxycholic acid] 6.18 7.0 25.0 Fluorescence spectroscopy Hiroshi Ikeda 2005
[NC0-g-CD](1).[hyodeoxycholic acid] 5.49 7.0 25.0 Fluorescence spectroscopy Hiroshi Ikeda 2005

ibuprofen
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
206.28 2 1 3.07 NT_c0217 None Not checked

SMILES: CC(C)Cc1ccc(cc1)C(C)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[ibuprofen] 4.01 6.55 25.0 capillary electrophoresis Jetse C. Reijenga 1997
[b-Cyclodextrin](1).[ibuprofen] 3.78 6.55 32.0 capillary electrophoresis Jetse C. Reijenga 1997
[b-Cyclodextrin](1).[ibuprofen] 3.57 6.55 40.0 capillary electrophoresis Jetse C. Reijenga 1997
[b-Cyclodextrin](1).[ibuprofen] 3.48 6.55 50.0 capillary electrophoresis Jetse C. Reijenga 1997
[b-Cyclodextrin](1).[ibuprofen] 4.26 10.0 spectrofluorometry Graciela M. Escandar 2003
[b-Cyclodextrin](1).[ibuprofen] 4.14 25.0 spectrofluorometry Graciela M. Escandar 2003
[b-Cyclodextrin](2).[ibuprofen] 3.72 6.55 25.0 capillary electrophoresis Jetse C. Reijenga 1997
[b-Cyclodextrin](2).[ibuprofen] 3.55 6.55 32.0 capillary electrophoresis Jetse C. Reijenga 1997
[b-Cyclodextrin](2).[ibuprofen] 3.33 6.55 40.0 capillary electrophoresis Jetse C. Reijenga 1997
[b-Cyclodextrin](2).[ibuprofen] 3.22 6.55 50.0 capillary electrophoresis Jetse C. Reijenga 1997

ibuprofen
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
206.28 2 1 3.07 SF_C1622 None Not checked

SMILES: CC(C)Cc1ccc(cc1)C(C)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprofen] 4.06 2.48 3.2 25.0 Calorimetry Annette Bauer-Brandl 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprofen] 4.04 2.60 3.95 25.0 Calorimetry Annette Bauer-Brandl 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprofen] 3.86 2.48 5.0 25.0 Calorimetry Annette Bauer-Brandl 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprofen] 3.65 2.48 6.2 25.0 Calorimetry Annette Bauer-Brandl 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprofen] 3.60 2.48 7.0 25.0 Calorimetry Annette Bauer-Brandl 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprofen] 3.60 2.48 8.0 25.0 Calorimetry Annette Bauer-Brandl 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprofen] 3.52 2.60 8.2 25.0 Calorimetry Annette Bauer-Brandl 2003

ibuprofen
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
206.28 2 1 3.07 JN_363 None Not checked

SMILES: CC(C)Cc1ccc(cc1)C(C)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef

ibuprofen anion
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
205.27 1 0 1.74 JN_356 None Not checked

SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[ibuprofen anion] 1.75 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[ibuprofen anion] 3.40 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[ibuprofen anion] 3.46 2.70 25.0 UV-vis spectroscopy Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[ibuprofen anion] 3.11 0.70 37.0 capillary electrophoresis(DAD) Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[ibuprofen anion] 3.94 10.0 spectrofluorometry Graciela M. Escandar 2003
[b-Cyclodextrin](1).[ibuprofen anion] 3.96 25.0 spectrofluorometry Graciela M. Escandar 2003
[cyclomaltodecaose](1).[ibuprofen anion] 0.30 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[ibuprofen anion] 1.46 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[ibuprofen anion] 1.43 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[ibuprofen anion] 1.59 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[ibuprofen anion] 1.08 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[ibuprofen anion] 1.83 25.0 capillary electrophoresis Wolfgang Zimmermann 1998

ibuprofen anion
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
205.27 1 0 1.74 JN_364 None Not checked

SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-]

Supramolecules

Namelog KSDpHT(°C)MethodRef

ibuprophen
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
206.28 2 1 3.07 JN_109 None Not checked

SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] 4.23 3.23 15.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] 4.19 3.18 20.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] 4.20 3.20 25.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] 4.12 3.11 30.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] 4.02 3.00 35.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophen] 3.94 2.95 40.0 pH potentiometry Emilio Aicart 1998

ibuprophenate ion
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None JN_110 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophenate ion] 3.64 2.60 15.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophenate ion] 3.66 2.70 20.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophenate ion] 3.67 2.70 25.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophenate ion] 3.65 2.70 30.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophenate ion] 3.49 2.48 35.0 pH potentiometry Emilio Aicart 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[ibuprophenate ion] 3.41 2.41 40.0 pH potentiometry Emilio Aicart 1998

imipramin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
280.41 2 0 3.94 SF_C1821 None Not checked

SMILES: CN(C)CCCN1c2ccccc2CCc3ccccc13

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[imipramin] 3.94 1.78 6.0 25.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[imipramin] 4.29 2.00 6.0 5.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[imipramin] 4.18 2.30 6.0 15.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[b-Cyclodextrin](1).[imipramin] 3.73 1.48 6.0 37.0 Measurements with ion selective electrode Panayotis E. Macheras 1992
[a-Cyclodextrin](1).[imipramin] 1.91 0.30 6.0 25.0 Measurements with ion selective electrode Panayotis E. Macheras 1992

imipramine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
280.41 2 0 3.94 NT_a0049 None Not checked

SMILES: CN(C)CCCN1c2ccccc2CCc3ccccc13

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[imipramine] 3.17 2.18 25.0 conductivity measurments Aicart, E. 2001
[a-Cyclodextrin](1).[imipramine] 2.11 1.30 25.0 conductivity measurments Aicart, E. 2001

indol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
117.15 0 1 2.17 NT_b0100 None Not checked

SMILES: [nH]1ccc2ccccc12

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[indol] 2.37 7.2 15.0 absorption and fluorescence spectroscopy J. B. Alexander Ross 1987
[b-Cyclodextrin](1).[indol] 2.38 7.2 15.8 absorption and fluorescence spectroscopy J. B. Alexander Ross 1987
[b-Cyclodextrin](1).[indol] 2.26 7.2 25.0 absorption and fluorescence spectroscopy J. B. Alexander Ross 1987
[b-Cyclodextrin](1).[indol] 2.23 7.2 30.0 absorption and fluorescence spectroscopy J. B. Alexander Ross 1987
[b-Cyclodextrin](1).[indol] 2.15 7.2 37.2 absorption and fluorescence spectroscopy J. B. Alexander Ross 1987
[b-Cyclodextrin](1).[indol] 2.29 7.2 25.0 absorption J. B. Alexander Ross 1987
[b-Cyclodextrin](1).[indol] 2.26 7.2 25.0 fluorescence spectroscopy J. B. Alexander Ross 1987