UCSF

ZINC03876027

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) 5.67 11.38 -46.22 0 4 -1 59 321.418 14

Vendor Notes

Note Type Comments Provided By
Melting_Point 50? Alfa-Aesar
Melting_Point 50° Alfa-Aesar
Mp [°C] 60 Acros Organics
BP [°C] 48 (p=12 torr) Acros Organics
Boiling_Point 48?/12mm Alfa-Aesar
Boiling_Point 48°/12mm Alfa-Aesar
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R21: Harmful in contact with skin. Acros Organics
R phrase R21: Harmful in contact with skin.; R34: Causes burns. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
S phrase S25: Avoid contact with eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics

Activity (Go SEA)

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