UCSF

ZINC01747212

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 No

Popular Name: 3,4-Dihydroxy-5-methoxybenzaldehyde 3,4-Dihydroxy-5-methoxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3934-87-0 , [3934-87-0]

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) 0.78 -0.79 -9.86 2 4 0 67 168.148 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 131 - 134 Enamine Building Blocks
M.P 131-134°C Indofine
MP 132 - 134 Enamine Building Blocks
MP 132...134 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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

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