OpenMolDB

Dansylamide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
250.32	4	1	3.33				nt1147	None		Not checked

SMILES: CN(C)c1cccc2c1cccc2[S](N)(=O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dansylamide]	1.78			25.0		Kenneth A. Connors 1995

Daunorubicin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
527.52	11	5	1.73				nt1889	None		Not checked

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Daunorubicin]	2.51			25.0		Kenneth A. Connors 1995

Daunorubicin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
527.52	11	5	1.73				nt1890	None		Not checked

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Daunorubicin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
527.52	11	5	1.73				nt1891	None		Not checked

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Daunorubicin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
527.52	11	5	1.73				nt1892	None		Not checked

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Daunorubicin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
527.52	11	5	1.73				nt1893	None		Not checked

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

Decanedioic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	4	2	2.28				SF_C1389	None		Not checked

SMILES: OC(=O)CCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Decanedioic acid]	3.36	2.43	1.3	25.0	Calorimetry	Giuseppina Castronuovo 1997

Decanedioic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
202.25	4	2	2.28				SF_C1382	None		Not checked

SMILES: OC(=O)CCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Decanedioic acid ]	3.25	1.92	11.3	25.0	Calorimetry	Giuseppina Castronuovo 1997

Decanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
172.26	2	1	3.21				SF_C983	None		Not checked

SMILES: CCCCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Decanoic acid ]	3.28	2.00	11.3	25.0	Calorimetry	Giuseppina Castronuovo 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Decanoic acid ]	4.08	3.30	11.3	25.0	Calorimetry	Giuseppina Castronuovo 2005

Decyltrimethylammonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
200.38	0	0	3.83				nt1150	None		Not checked

SMILES: CCCCCCCCCC[N+](C)(C)C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Decyltrimethylammonium]	2.60			25.0		Kenneth A. Connors 1995

Dehydrocholate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
401.52	7	0	2.74				nt1151	None		Not checked

SMILES: O=C(CC1CC([C@@]2([H])[C@]3([H])CC[C@@H]([C@]34C)[C@H](C)CCC([O-])=O)=O)CC[C@]1(C)[C@@]2([H])CC4=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dehydrocholate anion]	3.38			25.0		Kenneth A. Connors 1995

Deoxycholate anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
391.56	7	2	3.14				nt1152	None		Not checked

SMILES: O[C@@H]1CC[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC([O-])=O)CC[C@@]4([H])[C@]3([H])CC[C@@]([H])2C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Deoxycholate anion]	3.43			25.0		Kenneth A. Connors 1995

Deoxycholic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.57	4	3	4.48				NT_c0267	None		Not checked

SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-CD-peptide](1).[Deoxycholic acid]	3.04	1.95	7.5	25.0	Fluorescence resonance energy transfer	Hisakazu Mihara 2003

Dexamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				nt0255	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Dexamethasone]	2.23			25.0		Kenneth A. Connors 1995

Dexamethasone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
392.46	5	3	1.90				nt1154	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Dexamethasone]	3.67			25.0		Kenneth A. Connors 1995
[b-Cyclodextrin](1).[Dexamethasone]	2.85	1.60		35.0	HPLC	Nina Sadlej-Sosnowska 1997