UCSF

ZINC04530928

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 9 Yes

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

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CAS Numbers: , 496-73-1 , [496-73-1]

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) 1.82 -0.46 -5.48 2 2 0 40 124.139 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
MP 95-98 °C(lit.) Indofine
MP 95-98o C Indofine
SOLUBILITY Soluble in Acetone or methanol Indofine

Activity (Go SEA)

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