UCSF

ZINC01555527

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) -0.10 -2.36 -34.65 4 2 1 48 90.146 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 164-166? Alfa-Aesar
Boiling_Point 164-166° Alfa-Aesar
BP [°C] 165 Acros Organics
BP 165° Oakwood Chemical
Melting_Point 24-28? Alfa-Aesar
Melting_Point 24-28° Alfa-Aesar
Mp [°C] 31 - 32 Acros Organics
Purity 94% Fluorochem
Purity 95% Fluorochem
H phrase H412: Harmful to aquatic life with long lasting effects Acros Organics
H phrase H412: Harmful to aquatic life with long lasting effects; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several mi Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
R phrase R36/38: Irritating to eyes and skin.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
PUBCHEM_PATENT_ID WO1995010188A2 IBM Patent Data
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.