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Quick Search ZINC ID or SMILES

Synonyms (4)
Vendors (1)
Annotations (2)
Representations (2)
Notes (0)
Targets (0)
Clustered (0)
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Rings (7)
Analogs (1)

ZINC38580945

38580945

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Substance Information

In ZINC since	Heavy atoms	Benign functionality
January 27^th, 2010	30	No

Popular Name: 2-(6-aminohexylamino) 3',5'-cyclic AMP 2-(6-aminohexylamino) 3',5'-cycl…

Find On: PubMed — Wikipedia — Google

CAS Number: 214276-80-9

Other Names:

2-(6-Aminohexyl) aminoadenosine-3',5'-cyclic monophosphate

2-(6-aminohexylamino)adenosine 3',5'-(cyclic)phosphate; 2-(6-aminohexylamino)adenosine 3',5'-cyclic monophosphate; 2-(6-aminohexylamino)adenosine-3',5'-cyclic monophosphate; 2-AHA-cAMP

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

ChEBI
- CHEBI:64394
PubChem
- 44755017

Vendors

Tetrahedron Building Blocks
- TS82234

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.75	1.74	-85.56	7	13	0	197	443.401	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.75	2.11	-113.12	8	13	1	199	444.409	8	↓ MOL2 SDF SMILES Flexibase

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

42854042

Synonyms (4)
Vendors (1)
Annotations (2)
Representations (2)
Notes (0)
Targets (0)
Clustered (0)
Reactome (0)
Rings (7)
Analogs (1)