diphenhydramine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
255.35 2 0 3.35 NT_b0148 None Not checked

SMILES: CN(C)CCOC(c1ccccc1)c2ccccc2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[diphenhydramine] 3.70 23.0 phase solubility Pascal Le Corre 1998
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[diphenhydramine] 2.95 37.0 phase solubility Pascal Le Corre 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diphenhydramine] 3.21 23.0 phase solubility Pascal Le Corre 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diphenhydramine] 2.69 37.0 phase solubility Pascal Le Corre 1998

diphenylamine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
169.22 1 1 3.50 SF_C443 None Not checked

SMILES: N(c1ccccc1)c2ccccc2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[diphenylamine] 1.38 0.38 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[diphenylamine] 2.34 1.09 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[diphenylamine] 1.76 0.89 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[diphenylamine] 2.40 1.21 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[diphenylamine] 1.52 0.46 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[diphenylamine] 1.92 0.76 7.0 22.0 NMR titration Daniel W. Armstrong 2006

dipivefrine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
351.44 6 2 3.23 SF_C1164 None Not checked

SMILES: CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.07 5.0 70.0 HPLC-method Pekka Jarho 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.30 5.0 60.0 HPLC-method Pekka Jarho 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.19 5.0 50.0 HPLC-method Pekka Jarho 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.38 5.0 37.0 HPLC-method Pekka Jarho 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.36 7.4 70.0 HPLC-method Pekka Jarho 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.17 7.4 60.0 HPLC-method Pekka Jarho 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.10 7.4 50.0 HPLC-method Pekka Jarho 1997
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dipivefrine] 3.22 7.4 37.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 4.15 5.0 70.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 4.31 5.0 60.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 4.46 5.0 50.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 4.48 5.0 37.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 3.99 7.4 70.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 4.16 7.4 60.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 4.49 7.4 50.0 HPLC-method Pekka Jarho 1997
[sulfobutylether-b-cyclodextrin](1).[dipivefrine] 4.81 7.4 37.0 HPLC-method Pekka Jarho 1997

dipropyl-phthalate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
250.29 4 0 2.82 NT_b0117 None Not checked

SMILES: CCCOC(=O)c1ccccc1C(=O)OCCC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[dipropyl-phthalate] 3.31 25.0 fluorescence spectroscopy Murai, Shoji 1998

dipyridamole
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
504.63 12 4 0.11 NT_c0205 None Not checked

SMILES: OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[dipyridamole] -3.26 1H-NMR Torri, G. 1990
[b-Cyclodextrin](1).[dipyridamole] 3.90 5.5 23.0 phase solubility Torri, G. 1990

disodium 2,6-naphthalenedisulfonate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
332.26 4 0 2.81 SF_C486 None Not checked

SMILES: [Na+].[Na+].[O-][S](=O)(=O)c1ccc2cc(ccc2c1)[S]([O-])(=O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Mono[6-cholaminoethyleneamino-6-deoxy]-b-CD](1).[disodium 2,6-naphthalenedisulfonate] 5.02 7.2 25.0 Fluorescence spectroscopy Yu Liu 2006

dithiolethione
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
136.26 2 0 2.54 SF_C1723 None Not checked

SMILES: S=[S]1SCC=C1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[dithiolethione] 2.08 7.0 37.0 HPLC-method Gilles Dollo 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dithiolethione] 2.35 7.0 37.0 HPLC-method Gilles Dollo 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dithiolethione] 2.25 7.0 37.0 UV-vis spectroscopy Gilles Dollo 1999
[SBE7-b-CD](1).[dithiolethione] 2.56 7.0 37.0 HPLC-method Gilles Dollo 1999
[SBE7-b-CD](1).[dithiolethione] 2.26 7.0 37.0 UV-vis spectroscopy Gilles Dollo 1999

docetaxel
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
807.88 15 5 3.65 SF_C50 None Not checked

SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

Supramolecules

Namelog KSDpHT(°C)MethodRef
[hexavalent b-CD dimer-polymannoside conjugate](2).[docetaxel] 5.18 7.0 25.0 Phase Solubility studies Carmen Ortiz Mellet 2004
[hexavalent b-CD-glycodendrimer conjugates](1).[docetaxel] 3.60 7.0 25.0 Phase Solubility studies Carmen Ortiz Mellet 2004

dodecane 1,12-bis(trimethylammonium bromide)
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
446.35 0 0 -1.69 SF_C73 None Not checked

SMILES: C[N+](CCCCCCCCCCCC[N+](C)(C)C)(C)C.[Br-].[Br-]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[dodecane 1,12-bis(trimethylammonium bromide)] 3.48 2.62 6.0 25.0 NMR spectroscopy Celia Cabaleiro-Lago 2006
[b-Cyclodextrin](1).[dodecane 1,12-bis(trimethylammonium bromide)] 3.40 2.00 6.0 25.0 Electrical conductivity measurements Celia Cabaleiro-Lago 2006

dodecanoic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
200.32 2 1 3.99 SF_C1431 None Not checked

SMILES: CCCCCCCCCCCC(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[dodecanoic acid] 3.03 2.27 11.3 25.0 Calorimetry Giuseppina Castronuovo 1998
[a-Cyclodextrin](1).[dodecanoic acid] 6.03 5.27 11.3 25.0 calorimetry Giuseppina Castronuovo 1996

dodecanoic acid
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
200.32 2 1 3.99 JN_37 None Not checked

SMILES: CCCCCCCCCCCC(O)=O

Supramolecules

Namelog KSDpHT(°C)MethodRef

dodecanol
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
186.33 1 1 3.90 SF_C452 None Not checked

SMILES: CCCCCCCCCCCCO

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[dodecanol] 2.15 1.31 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[dodecanol] 2.00 1.53 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[dodecanol] 1.91 1.16 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[dodecanol] 2.20 1.16 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[dodecanol] 0.91 0.34 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[dodecanol] 1.40 0.48 7.0 22.0 NMR titration Daniel W. Armstrong 2006

dodecyldimethylbenzylammonium bromide
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
384.44 0 0 3.19 SF_C1655 None Not checked

SMILES: [Br-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[dodecyldimethylbenzylammonium bromide] 4.29 2.68 25.0 UV-vis spectroscopy B. Tutaj 2005