UCSF

ZINC02558109

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 4-Methoxybenzene-1,3-diol 4-Methoxybenzene-1,3-diol

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CAS Number: 6100-60-3

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) 0.80 -1.24 -6.99 2 3 0 50 140.138 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 69-71.5o C Indofine
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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

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