indole
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
117.15 0 1 2.17 SF_C450 None Not checked

SMILES: [nH]1ccc2ccccc12

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[indole] 0.74 -0.10 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[indole] 2.22 -0.40 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[indole] 1.32 0.30 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[indole] 2.14 0.93 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[indole] 1.18 0.15 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[indole] 1.38 1.30 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[indole] 1.19 0.46 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[indole] 1.66 1.32 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[indole] 1.85 0.08 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[indole] 1.85 1.25 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006

indomethacin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
357.79 4 1 3.93 SF_C1405 None Not checked

SMILES: COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[indomethacin] 1.85 1.00 9.8 40.0 HPLC-method Thorsteinn Loftsson 1998
[sulfobutylether-b-cyclodextrin](1).[indomethacin] 2.41 1.30 9.8 40.0 HPLC-method Thorsteinn Loftsson 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[indomethacin] 2.84 1.78 9.8 40.0 HPLC-method Thorsteinn Loftsson 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[indomethacin] 2.84 1.78 10.0 40.0 HPLC-method Thorsteinn Loftsson 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[indomethacin] 2.85 9.0 30.0 NMR spectroscopy Gregory Gregoriadis 1998
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[indomethacin] 2.98 9.0 30.0 UV-vis spectroscopy Gregory Gregoriadis 1998
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[indomethacin] 2.89 1.95 9.8 40.0 HPLC-method Thorsteinn Loftsson 1998

indomethacin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
357.79 4 1 3.93 SF_C1467 None Not checked

SMILES: COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[indomethacin] 2.49 1.48 10.0 40.0 HPLC-method Thorsteinn Loftsson 1999
[b-Cyclodextrin](1).[indomethacin] 2.76 1.6 37.0 UV spectroscopy, induced circular dichroism Dominique Duchene 1998
[b-Cyclodextrin](1).[indomethacin] 2.83 6.8 37.0 UV spectroscopy, induced circular dichroism Dominique Duchene 1998
[g-Cyclodextrin](1).[indomethacin] 2.43 1.60 10.0 40.0 HPLC-method Thorsteinn Loftsson 1999
[glycerol ether of beta-cyclodextrin](1).[indomethacin] 2.94 1.95 10.0 40.0 HPLC-method Thorsteinn Loftsson 1999

indomethacin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
357.79 4 1 3.93 SF_C914 None Not checked

SMILES: COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

Supramolecules

Namelog KSDpHT(°C)MethodRef

indomethacin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
357.79 4 1 3.93 JN_80 None Not checked

SMILES: COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

Supramolecules

Namelog KSDpHT(°C)MethodRef

insulin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
5807.57 146 78 5.21 SF_C1511 None Not checked

SMILES: CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3[nH]cnc3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc4ccccc4)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5[nH]cnc5)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc8ccc(O)cc8)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](Cc%10ccccc%10)C(=O)N[C@@H](Cc%11ccc(O)cc%11)C(=O)N[C@@H]([C@@H](C)O)C(=O)N%12CCC[C@H]%12C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[insulin] 2.67 1.74 2.0 55.0 HPLC-method Yannis L. Loukas 2002

iodid ion
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None JN_309 None

SMILES: [I-]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[iodid ion] 1.62 1.08 freezing point depression method, osmotic measurements Masahiko Suzuki 1993
[b-Cyclodextrin](1).[iodid ion] 0.66 0.15 freezing point depression method, osmotic measurements Masahiko Suzuki 1993
[g-Cyclodextrin](1).[iodid ion] 0.86 0.23 freezing point depression method, osmotic measurements Masahiko Suzuki 1993

iodine
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C752 None

SMILES: [I]

Supramolecules

Namelog KSDpHT(°C)MethodRef
[DIMEA](1).[iodine] 4.20 7.0 25.0 Sodium thiosulfate titration Lajos Szente 1999
[Randomly methylated-a-Cyclodextrin (DS ~11)](1).[iodine] 3.64 7.0 25.0 Sodium thiosulfate titration Lajos Szente 1999
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[iodine] 3.00 7.0 25.0 Sodium thiosulfate titration Lajos Szente 1999
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[iodine] 2.92 7.0 25.0 Sodium thiosulfate titration Lajos Szente 1999
[Randomly methylated-g-Cyclodextrin (DS ~12)](1).[iodine] 1.77 7.0 25.0 Sodium thiosulfate titration Lajos Szente 1999
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[iodine] 1.58 7.0 25.0 Sodium thiosulfate titration Lajos Szente 1999
[MA-b-CD](1).[iodine] 1.66 7.0 25.0 Sodium thiosulfate titration Lajos Szente 1999

iodobenzene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
204.01 0 0 2.29 JN_105 None Not checked

SMILES: Ic1ccccc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[iodobenzene] 3.08 1.30 25.0 Uv-vis and fluorescence spectroscopy Qing-Xiang Guo 1998
[a-Cyclodextrin](1).[iodobenzene] 3.04 1.00 25.0 Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[iodobenzene] 2.93 1.30 25.0 Uv-vis and fluorescence spectroscopy Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[iodobenzene] 2.90 1.00 25.0 Qing-Xiang Guo 1998

iodotrimethyl 2-(p-hexylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole ammonium
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
580.56 4 2 8.48 SF_C1401 None Not checked

SMILES: [NH4+].CCCCCCNc1ccc(cc1)C2N(I)c3c(C)c(C)c(c(C)c3C2(C)C)C(=O)OCC

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](3).[iodotrimethyl 2-(p-hexylaminophenyl)-3,3-dimethyl-5-carboethoxy-3H-indole ammonium] 5.57 4.60 9.5 25.0 Fluorescence spectroscopy Gilles Durocher 1998

iron complex of tetrakis(4-sulfonato)-tetraphenylporphyrin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C764 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[Calix[4]arene-based β-cyclodextrin tetramer](1).[iron complex of tetrakis(4-sulfonato)-tetraphenylporphyrin] 6.15 7.0 25.0 Microcalorimetry Jurriaan Huskens 2001
[Calix[4]arene-based β-cyclodextrin tetramer](1).[iron complex of tetrakis(4-sulfonato)-tetraphenylporphyrin] 6.23 7.0 25.0 UV-vis spectroscopy Jurriaan Huskens 2001
[Calix[4]arene-based β-cyclodextrin tetramer](0.5).[iron complex of tetrakis(4-sulfonato)-tetraphenylporphyrin] 5.23 7.0 25.0 Microcalorimetry Jurriaan Huskens 2001
[Calix[4]arene-based β-cyclodextrin tetramer](0.5).[iron complex of tetrakis(4-sulfonato)-tetraphenylporphyrin] 5.32 7.0 25.0 UV-vis spectroscopy Jurriaan Huskens 2001

iron(III)-meso-tetra(4-sulphonatophenyl)porphyrin
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None JN_AJ_1 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2A-monopyridylmethyl-perPEGylated BCD(py-PPCD)](1).[iron(III)-meso-tetra(4-sulphonatophenyl)porphyrin] 6.38 6.0 UV-Vis spectroscopy John T. Groves 2003
[2A-monopyridylmethyl-perPEGylated BCD(py-PPCD)](1).[iron(III)-meso-tetra(4-sulphonatophenyl)porphyrin] 6.38 6.0 NMR spectroscopy John T. Groves 2004