UCSF

ZINC04204606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 No

Popular Name: N'-hydroxy-2-methoxybenzenecarboximidamide N'-hydroxy-2-methoxybenzenecarbo…

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CAS Numbers: 1772588-79-0 , 771-28-8 , N/A , [51285-05-3] , [771-28-8]

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) 0.26 1.03 -8.73 3 4 0 68 166.18 2 ↓
Ref Reference (pH 7) 0.39 0.36 -26.65 4 4 1 67 167.188 3 ↓
Ref Reference (pH 7) 0.26 0.3 -7.68 3 4 0 68 166.18 2 ↓
Mid Mid (pH 6-8) 0.39 1.4 -18.8 3 4 0 70 166.18 3 ↓
Lo Low (pH 4.5-6) 0.26 0.34 -27 4 4 1 69 167.188 2 ↓
Lo Low (pH 4.5-6) 0.26 0.24 -29.07 4 4 1 69 167.188 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 105 - 107 Enamine Building Blocks
MP 121° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 95% Fluorochem

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

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