UCSF

ZINC00039459

Annotations

Vendors

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) 0.90 2.88 -44.65 0 3 -1 53 142.159 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 287 Acros Organics
Melting_Point 287? Alfa-Aesar
Melting_Point 287° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
H phrase H317: May cause an allergic skin reaction Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear eye protection/face protection Acros Organics
R phrase R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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