UCSF

ZINC00000867

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 2-Methylnaphthalene-1,4-diyl diacetate 2-Methylnaphthalene-1,4-diyl dia…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 573-20-6 , [573-20-6]

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) 2.53 9.78 -15.18 0 4 0 53 258.273 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 113 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4764201; US5116406 IBM Patent Data

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Rings

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

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