UCSF

ZINC02504359

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) 4.70 12.38 -10.4 0 3 0 28 310.289 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 22 - 24 Acros Organics
Melting_Point 22-24? Alfa-Aesar
Melting_Point 22-24° Alfa-Aesar
BP [°C] 360 Acros Organics
Boiling_Point 360? Alfa-Aesar
Boiling_Point 360° Alfa-Aesar
MP 64 - 68 Enamine Building Blocks
MP 64...68 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H317: May cause an allergic skin reaction; H410: Very toxic to aquatic life with long lasting effects; H302: Harmful if swallowed 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
R phrase R36/38: Irritating to eyes and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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