UCSF

ZINC12359926

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 10 Yes

Popular Name: p-Xylylenediamine p-Xylylenediamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2549-93-1 , 539-48-0 , [539-48-0]

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) 0.31 0.49 -96.23 6 2 2 55 138.214 2 ↓
Hi High (pH 8-9.5) 0.31 0.1 -45.3 5 2 1 54 137.206 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 230?/10mm Alfa-Aesar
Boiling_Point 230°/10mm Alfa-Aesar
Melting_Point 59-63? Alfa-Aesar
Melting_Point 59-63° Alfa-Aesar
MP 62 TCI
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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

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