b-ionone
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
192.30 1 0 3.66 SF_C950 None Not checked

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

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](2).[b-ionone] 6.30 7.0 NMR spectroscopy N.E. Polyakov 2004
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](2).[b-ionone] 6.70 7.0 NMR spectroscopy N.E. Polyakov 2004
[2-O-(2-Hydroxy)propyl-g-Cyclodextrin](1).[b-ionone] 4.00 7.0 NMR spectroscopy N.E. Polyakov 2004

b-lapachone
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
242.27 3 0 2.75 SF_C589 None Not checked

SMILES: CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[b-lapachone] 1.30 -0.15 7.4 25.0 UV-vis spectroscopy Jinming Gao 2003
[b-Cyclodextrin](1).[b-lapachone] 3.09 1.00 7.4 25.0 UV-vis spectroscopy Jinming Gao 2003
[b-Cyclodextrin](1).[b-lapachone] 3.04 1.78 7.4 25.0 Fluorescence spectroscopy Jinming Gao 2003
[b-Cyclodextrin](1).[b-lapachone] 2.89 1.72 7.0 25.0 NMR spectroscopy Jinming Gao 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[b-lapachone] 2.97 1.90 7.4 25.0 UV-vis spectroscopy Jinming Gao 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[b-lapachone] 3.03 1.78 7.4 25.0 Fluorescence spectroscopy Jinming Gao 2003
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[b-lapachone] 2.82 1.43 7.0 25.0 NMR spectroscopy Jinming Gao 2003
[g-Cyclodextrin](1).[b-lapachone] 2.20 0.70 7.4 25.0 UV-vis spectroscopy Jinming Gao 2003

b-phenylalanine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
165.19 3 2 1.86 SF_C1249 None Not checked

SMILES: N[C@H](C1=CC=CC=C1)CC(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[b-phenylalanine] 1.51 0.88 6.0 20.0 Fluorescence spectroscopy Wieslaw Wiczk 2005

bW7 MAHP
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None VD-0012 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[bW7 MAHP](1).[o-nitrophenol] 1.89 7.0 25.0 HPLC-method Michel Morcellet 2004
[bW7 MAHP](1).[m-nitrophenol] 2.10 7.0 25.0 HPLC-method Michel Morcellet 2004
[bW7 MAHP](1).[p-nitrophenol] 2.16 7.0 25.0 HPLC-method Michel Morcellet 2004
[bW7 MAHP](1).[o-cresol] 2.03 7.0 25.0 HPLC-method Michel Morcellet 2004
[bW7 MAHP](1).[m-cresol] 2.09 7.0 25.0 HPLC-method Michel Morcellet 2004
[bW7 MAHP](1).[p-cresol] 2.29 7.0 25.0 HPLC-method Michel Morcellet 2004

barbital
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
184.19 5 2 0.82 JN_290 None Not checked

SMILES: CCC1(CC)C(=O)NC(=O)NC1=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[barbital] 1.97 0.95 10.0 freezing point depression method Masahiko Suzuki 1993
[a-Cyclodextrin](1).[barbital] 1.92 UV spectroscopy Masahiko Suzuki 1993
[a-Cyclodextrin](2).[barbital] 0.98 0.32 10.0 freezing point depression method Masahiko Suzuki 1993
[a-Cyclodextrin](2).[barbital] 0.96 UV spectroscopy Masahiko Suzuki 1993

beclomethasone
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
408.92 5 3 2.16 SF_C786 None Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

Supramolecules

Namelog KSDpHT(°C)MethodRef
[g-Cyclodextrin](1).[beclomethasone] 2.85 HPLC-method Nicholas H. Snow 2001
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[beclomethasone] 2.68 HPLC-method Nicholas H. Snow 2001

bendrofluazide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
421.41 7 3 4.95 NT_c0207 None Not checked

SMILES: N[S](=O)(=O)c1cc2c(NC(Cc3ccccc3)N[S]2(=O)=O)cc1C(F)(F)F

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[bendrofluazide] 1.75 phase solubility Ahmed M. El-Sayed 1990
[b-Cyclodextrin](1).[bendrofluazide] 1.78 UV spectrophotometry Ahmed M. El-Sayed 1990

benzene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
78.11 0 0 1.69 VR_C189 None Not checked

SMILES: c1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[benzene] 1.30 0.85 25.0 GC (SHSGC) É. Fenyvesi 2005
[g-Cyclodextrin](1).[benzene] 0.94 0.94 25.0 GC (SHSGC) É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[benzene] 2.04 0.70 25.0 GC (SHSGC) É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[benzene] 2.52 1.74 25.0 GC (SHSGC) É. Fenyvesi 2005