N-acetyl-L-tyrosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
223.23 5 3 0.91 SF_C1538 None Not checked

SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef

N-acetyl-L-tyrosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
223.23 5 3 0.91 SF_C1551 None Not checked

SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[mono-(6-amino-6-deoxy)-b-CD](1).[N-acetyl-L-tyrosine] 2.13 0.30 6.9 25.0 Titration Calorimetry Yoshihisa Inoue 2002

N-acetyl-L-tyrosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
223.23 5 3 0.91 SF_C962 None Not checked

SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[N-acetyl-L-tyrosine] 0.85 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-L-tyrosine] 2.11 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-L-tyrosine] 2.32 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-acetyl-L-tyrosine] 2.23 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004

N-acetyltyrosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
223.23 5 3 0.91 SF_C1239 None Not checked

SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[N-acetyltyrosine] 2.20 1.25 6.0 20.0 Fluorescence spectroscopy Wieslaw Wiczk 2005

N-adamantan-1'-ylpyrazinium cation
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
215.31 1 0 2.29 NT_a0007 None Not checked

SMILES: [N+]1(C23CC4CC(C3)CC(C4)C2)=CC=NC=C1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[N-adamantan-1'-ylpyrazinium cation] 1.88 6.8 25.0 1H NMR chemical shift titration and visible spectrophotometric titration Donald H. Macartney 1993
[b-Cyclodextrin](1).[N-adamantan-1'-ylpyrazinium cation] 3.49 6.8 25.0 1H NMR chemical shift titration and visible spectrophotometric titration Donald H. Macartney 1993

N-benzylphenothiazine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
289.39 2 0 5.55 JN_117 None Not checked

SMILES: C(N1c2ccccc2Sc3ccccc13)c4ccccc4

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[N-benzylphenothiazine] 2.49 1.49 25.0 UV-vis spectroscopy Qing-Xiang Guo 1999

N-carboxybenzoyl-D-glutamic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
295.24 8 3 1.12 SF_C960 None Not checked

SMILES: OC(=O)CC[C@@H](N(C(O)=O)C(=O)c1ccccc1)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[N-carboxybenzoyl-D-glutamic acid] 1.15 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[b-Cyclodextrin](1).[N-carboxybenzoyl-D-glutamic acid] 1.93 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamic acid] 2.28 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamic acid] 2.12 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamic acid] 2.03 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004

N-carboxybenzoyl-D-glutamyl-L-tyrosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
458.42 11 5 1.95 SF_C963 None Not checked

SMILES: OC(=O)CC[C@@H](N(C(O)=O)C(=O)c1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine] 1.23 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[b-Cyclodextrin](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine] 2.06 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine] 2.14 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine] 2.20 0.60 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine] 2.08 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[g-Cyclodextrin](1).[N-carboxybenzoyl-D-glutamyl-L-tyrosine] 1.99 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004

N-carboxybenzoyl-L-glutamic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
295.24 8 3 1.12 SF_C959 None Not checked

SMILES: OC(=O)CC[C@H](N(C(O)=O)C(=O)c1ccccc1)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[N-carboxybenzoyl-L-glutamic acid] 1.18 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[b-Cyclodextrin](1).[N-carboxybenzoyl-L-glutamic acid] 1.92 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamic acid] 2.13 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamic acid] 2.05 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamic acid] 1.97 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004

N-carboxybenzoyl-L-glutamyl-L-tyrosine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
458.42 11 5 1.95 SF_C964 None Not checked

SMILES: OC(=O)CC[C@H](N(C(O)=O)C(=O)c1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine] 1.24 0.18 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[b-Cyclodextrin](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine] 1.99 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,B-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine] 2.04 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,C-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine] 2.09 0.48 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[A,D-modified bis(6-trimethylammonio-6-deoxy)-b-CD](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine] 2.04 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004
[g-Cyclodextrin](1).[N-carboxybenzoyl-L-glutamyl-L-tyrosine] 1.60 0.30 6.9 25.0 Isothermal titration calorimetry Yoshihisa Inoue 2004

N-dodecyl-N'-(2-phosphonoethyl)-1,4,5,8-naphthalenetetracarboxylic diimide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
578.59 11 6 5.94 JN_381 None Not checked

SMILES: CCCCCCCCCCCCN=C(O)c1ccc(C(O)=NCC[P](O)(O)=O)c2c(ccc(C(O)=O)c12)C(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[N-dodecyl-N'-(2-phosphonoethyl)-1,4,5,8-naphthalenetetracarboxylic diimide] 2.05 9.0 25.0 UV-vis spectroscopy Sergio Brochsztain 2005

N-methyl-N-nitroso-p-toluenesulphonamide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
214.24 5 0 2.38 SF_C63 None Not checked

SMILES: CN(N=O)[S](=O)(=O)c1ccc(C)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[N-methyl-N-nitroso-p-toluenesulphonamide] 3.18 1.70 0.8 25.0 UV/VIS spectrometry Jorge Pérez-Juste 2006