OpenMolDB

adamantan-1-yl-ammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
152.26	0	1	1.20				nt0908	None		Not checked

SMILES: [NH3+]C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

adamantane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
136.23	0	0	2.83				SF_C590	None		Not checked

SMILES: C1C2CC3CC1CC(C2)C3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Naphthalene-d8-β-cyclodextrin](1).[adamantane]	2.83		7.0	20.0	Absorption and fluorescence spectroscopy	V. B. Nazarov 2003

adamantane carboxylate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.24	1	0	0.95				SF_C192	None		Not checked

SMILES: [O-]C(=O)C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[adamantane carboxylate]	4.70		6.9	30.0	Microcalorimetry	Daniel Harries 2005
[b-Cyclodextrin](1).[adamantane carboxylate]	5.00		10.0	25.0	UV-vis spectroscopy	Rita H. de Rossi 1995

adamantane carboxylate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.24	1	0	0.95				JN_20	None		Not checked

SMILES: [O-]C(=O)C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[adamantane carboxylate]	2.00		10.0	25.0	UV-vis spectroscopy	Rita H. de Rossi 1995
[g-Cyclodextrin](1).[adamantane carboxylate]	3.00		10.0	25.0	UV-vis spectroscopy	Rita H. de Rossi 1995

adamantane derivative

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1392	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[adamantane derivative]	4.02	3.13	8.6	25.0	Calorimetry	Cecil M. Criss 1997

adamantane derivative

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1395	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

adamantanecarboxylate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.24	1	0	0.95				JN_501	None		Not checked

SMILES: [O-]C(=O)C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](2).[adamantanecarboxylate]	1.00	4.08	25.0	microcalorimetry	Maurice R. Eftink 1985
[a-Cyclodextrin](2).[adamantanecarboxylate]	1.08	4.5	25.0	pH potentiometry	Maurice R. Eftink 1985
[b-Cyclodextrin](1).[adamantanecarboxylate]	4.59	4.5	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985
[g-Cyclodextrin](1).[adamantanecarboxylate]	3.52	8.5	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985
[g-Cyclodextrin](1).[adamantanecarboxylate]	3.52	4.08	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985
[g-Cyclodextrin](1).[adamantanecarboxylate]	3.38	4.5	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985

adamantanecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.24	2	1	2.29				SF_C581	None		Not checked

SMILES: OC(=O)C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[tetradecapeptidyl-b-CD](2).[adamantanecarboxylic acid]	3.58	2.00	7.4	25.0	Isothermal titration calorymetry	Antonio Vargas-Berenguel 2003
[b-Cyclodextrin](1).[adamantanecarboxylic acid]	4.60		7.4	25.0	Isothermal titration calorymetry	Antonio Vargas-Berenguel 2003
[b-Cyclodextrin](1).[adamantanecarboxylic acid]	3.15			25.0	NMR spectroscopy	Zdenek Tosner 2006
[b-Cyclodextrin](1).[adamantanecarboxylic acid]	4.28		8.5	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985
[b-Cyclodextrin](1).[adamantanecarboxylic acid]	4.52		7.22	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985
[b-Cyclodextrin](1).[adamantanecarboxylic acid]	5.46		4.08	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985

adamantanecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.24	2	1	2.29				SF_C714	None		Not checked

SMILES: OC(=O)C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

adamantanecarboxylic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.24	2	1	2.29				JN_500	None		Not checked

SMILES: OC(=O)C12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[adamantanecarboxylic acid]	2.15	8.5	25.0	microcalorimetry	Maurice R. Eftink 1985
[a-Cyclodextrin](1).[adamantanecarboxylic acid]	2.11	4.08	25.0	microcalorimetry	Maurice R. Eftink 1985
[a-Cyclodextrin](1).[adamantanecarboxylic acid]	2.36	7.2	25.0	microcalorimetry	Maurice R. Eftink 1985
[a-Cyclodextrin](1).[adamantanecarboxylic acid]	2.18	4.5	25.0	pH potentiometry	Maurice R. Eftink 1985
[a-Cyclodextrin](2).[adamantanecarboxylic acid]	2.78	4.5	25.0	pH potentiometry	Maurice R. Eftink 1985
[a-Cyclodextrin](2).[adamantanecarboxylic acid]	2.70	4.08	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985
[g-Cyclodextrin](1).[adamantanecarboxylic acid]	2.70	7.22	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985
[g-Cyclodextrin](1).[adamantanecarboxylic acid]	4.38	4.08	25.0	microcalorimetry, pH potentiometry	Maurice R. Eftink 1985

adamantyl-methanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.26	1	1	2.20				SF_C83	None		Not checked

SMILES: OCC12CC3CC(CC(C3)C1)C2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[adamantyl-methanol]	5.15	3.70	7.0	30.0	Isothermal titration calorimetry (ITC)	José Vázquez Tato 2005
[6-NH2-b-CD](1).[adamantyl-methanol]	5.01	3.60	7.0	30.0	Isothermal titration calorimetry (ITC)	José Vázquez Tato 2005
[3-NH2-b-CD](1).[adamantyl-methanol]	3.14	1.60	7.0	30.0	Isothermal titration calorimetry (ITC)	José Vázquez Tato 2005

adamantyl-phthalamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
299.36	4	2	3.65				SF_C795	None		Not checked

SMILES: NC(=O)c1c(cccc1C23CC4CC(CC(C4)C2)C3)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[adamantyl-phthalamic acid]	4.61	3.78	10.47	25.0	UV-vis spectroscopy	Rita H. de Rossi 2001

adamantylmethyl viologen

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
320.47	0	0	3.47				JN_384	None		Not checked

SMILES: C[N+]1=CC=C(C2=CC=[N+](C)C=C2)C(C34CC5CC(C4)CC(C5)C3)=C1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[6-O-(2-sulfonato-6-naphthyl)-BCD](1).[adamantylmethyl viologen]	4.02	2.60	25.0	circular dichroism	Joon Woo Park 2002
[6-O-(2-sulfonato-6-naphthyl)-BCD](1).[adamantylmethyl viologen]	1.89	0.30	25.0	absorption spectroscopy	Joon Woo Park 2002
[b-Cyclodextrin](1).[adamantylmethyl viologen]	3.86	2.60	25.0	circular dichroism	Joon Woo Park 2002

adenine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
135.13	4	2	0.52				SF_C1545	None		Not checked

SMILES: Nc1ncnc2nc[nH]c12

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[adenine]	2.03		7.0		Fluorescence spectroscopy	Xu Hao 2002

adenine arabinoside

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
267.24	8	4	-1.40				SF_C1770	None		Not checked

SMILES: Nc1ncnc2n(cnc12)C3OC(CO)C(O)C3O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[adenine arabinoside]	1.63	0.73	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[adenine arabinoside]	1.70	0.91	7.0	25.0	UV-vis spectroscopy	Bradley D. Anderson 1990