UCSF

ZINC39566004

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 10 No

CAS Numbers: 5686-93-1 , 7364-25-2

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) 1.05 0.63 -11.88 0 3 0 43 132.122 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 248-252? Alfa-Aesar
Melting_Point 248-252° Alfa-Aesar
M.P 250-252 °C Indofine

Activity (Go SEA)

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