UCSF

ZINC00056626

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 14 Yes

Popular Name: Metanephrine Metanephrine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5001-33-2 , 5090-31-3 , 881-95-8 , [881-95-8]

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) 0.25 -0.8 -46.39 4 4 1 66 198.242 4 ↓
Hi High (pH 8-9.5) 0.25 -2.3 -7.2 3 4 0 62 197.234 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1982003327A1 IBM Patent Data

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