UCSF

ZINC01690020

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) 3.05 6.42 -2.39 0 0 0 0 185.064 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 16 - 18 Acros Organics
MP 16-20° Oakwood Chemical
Melting_Point 18-20? Alfa-Aesar
Melting_Point 18-20° Alfa-Aesar
BP [°C] 216 - 217 (p=742 torr) Acros Organics
Boiling_Point 216-217? Alfa-Aesar
Boiling_Point 216-217° Alfa-Aesar
BP 216-217°/742mm Oakwood Chemical
Purity 95% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H312: Harmful in contact with skin; H302: Harmful if swallowed; H318: Causes serious 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 R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; 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 immediat Acros Organics

Activity (Go SEA)

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

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