UCSF

ZINC01687608

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) 5.06 10.5 -4.26 0 2 0 18 270.372 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 38 - 41 Acros Organics
Melting_Point 39-41? Alfa-Aesar
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H411: Toxic to aquatic life with long lasting effects; H242: Heating may cause a fire Acros Organics
Hazard O: Oxidizing Acros Organics
Hazard O: Oxidizing; XI: Irritant; N: Dangerous for the environment Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; 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; P Acros Organics
R phrase R7: May cause fire. Acros Organics
R phrase R7: May cause fire.; R36/38: Irritating to eyes and skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S3/7: Keep container tightly closed in a cool place. Acros Organics
S phrase S3/7: Keep container tightly closed in a cool place.; S14A: Keep away from acids, reducing agents and polymerisation catalysts.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S61: Avoid release to the environment. Refer to Acros Organics

Activity (Go SEA)

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

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