UCSF

ZINC01568931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 Yes

Popular Name: AMyl 4-Hydroxybenzoate AMyl 4-Hydroxybenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13110-37-7 , 6521-29-5

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) 3.57 0.68 -6.18 1 3 0 46 208.257 6 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 197-200?/10mm Alfa-Aesar
Boiling_Point 197-200°/10mm Alfa-Aesar
Melting_Point 36-40? Alfa-Aesar
Melting_Point 36-40° Alfa-Aesar
Melting_Point 51-53? Alfa-Aesar
Melting_Point 51-53° Alfa-Aesar
Purity >98.0% Fluorochem

Activity (Go SEA)

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

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