OpenMolDB

Methyl Red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
269.30	5	1	3.87				nt0614	None		Not checked

SMILES: CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl Red]	3.61			25.0		Kenneth A. Connors 1995

Methyl Red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
269.30	5	1	3.87				nt1525	None		Not checked

SMILES: CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methyl Red]	3.50			25.0		Kenneth A. Connors 1995

Methyl Red

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
269.30	5	1	3.87				nt1526	None		Not checked

SMILES: CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl Red anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
268.29	4	0	2.53				nt0613	None		Not checked

SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl Red anion]	3.96			25.0		Kenneth A. Connors 1995

Methyl Red anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
268.29	4	0	2.53				nt1523	None		Not checked

SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methyl Red anion]	3.58			25.0		Kenneth A. Connors 1995

Methyl Red anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
268.29	4	0	2.53				nt1524	None		Not checked

SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-]

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl a-D-glucopyranoside

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
194.18	6	4	-2.57				nt0568	None		Not checked

SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl a-D-glucopyranoside]	1.32			25.0		Kenneth A. Connors 1995

Methyl gallate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.15	5	3	0.59				nt1488	None		Not checked

SMILES: COC(=O)c1cc(O)c(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methyl gallate]	2.10			25.0		Kenneth A. Connors 1995

Methyl gallate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
184.15	5	3	0.59				nt1489	None		Not checked

SMILES: COC(=O)c1cc(O)c(O)c(O)c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Methyl orange

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
327.33	5	0	4.15				SF_C112	None		Not checked

SMILES: [Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)[S]([O-])(=O)=O

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methyl orange]	3.40	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Methyl orange]	3.73	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Methyl orange]	4.20	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006
[partially methylated crystallised b-cyclodextrin](1).[Methyl orange]	3.51	5.8	25.0	UV-Vis spectroscopy	Sophie Fourmentin 2006

Methyl trans-cinnamate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
162.19	2	0	1.87				nt0557	None		Not checked

SMILES: COC(=O)\C=C\c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Methyl trans-cinnamate]	3.08			25.0		Kenneth A. Connors 1995

Methylcyclohexanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
114.19	1	1	1.70				nt1485	None		Not checked

SMILES: CC1(O)CCCCC1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methylcyclohexanol]	2.08			25.0		Kenneth A. Connors 1995

Methylene Blue

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
319.85	3	0	0.87				nt1487	None		Not checked

SMILES: [Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methylene Blue]	2.96			25.0		Kenneth A. Connors 1995

Methylprednisolone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
374.47	5	3	1.80				VR_C114	None		Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methylprednisolone]	2.36	1.18		35.0	HPLC	Nina Sadlej-Sosnowska 1997
[g-Cyclodextrin](1).[Methylprednisolone]	3.00	1.90		35.0	HPLC	Nina Sadlej-Sosnowska 1997

Methylprednisolone acetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
416.51	6	2	2.37				VR_C116	None		Not checked

SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Methylprednisolone acetate]	2.36	1.30		35.0	HPLC	Nina Sadlej-Sosnowska 1997
[g-Cyclodextrin](1).[Methylprednisolone acetate]	3.12	1.90		35.0	HPLC	Nina Sadlej-Sosnowska 1997