UCSF

ZINC08457049

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2006 15 No

Popular Name: 1,8-Naphthalic anhydride, 97% 1,8-Naphthalic anhydride, 97%

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CAS Numbers: 81-84-5 , [81-84-5]

Download: MOL2 SDF SMILES Flexibase

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 7.37 -13.38 0 3 0 47 198.177 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 269-273? Alfa-Aesar
Melting_Point 269-273° Alfa-Aesar
Mp [°C] >269 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SIR2-1-F NAD-dependent Histone Deacetylase SIR2 (cluster #1 Of 1), Fungal Fungi 8800 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SIR2_YEAST P06700 NAD-dependent Histone Deacetylase SIR2, Yeast 8800 0.47 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.