UCSF

ZINC00388200

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) 2.48 -1.45 -3.98 1 1 0 20 173.009 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 194-195? Alfa-Aesar
Boiling_Point 194-195° Alfa-Aesar
BP [°C] 195 Acros Organics
Mp [°C] 5 Acros Organics
Melting_Point 5? Alfa-Aesar
Melting_Point Alfa-Aesar
MP Oakwood Chemical
ALOGPS_SOLUBILITY 7.60e+00 g/l DrugBank-experimental
BP 84-86°/12mm Oakwood Chemical
BP 84-86°C/12mm Fluorochem
Purity 97% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H400: Very toxic to aquatic life; H226: Flammable liquid and vapor Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear pr Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50: Very toxic to aquatic organisms. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains.; S37/39: Wear suitable gloves and eye/face protection.; S61: Avoid re Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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