UCSF

ZINC01664716

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) 2.86 -0.52 -4.6 1 1 0 20 184.238 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 153-155?/12mm Alfa-Aesar
Boiling_Point 153-155°/12mm Alfa-Aesar
BP [°C] 297 - 298 Acros Organics
Boiling_Point 297-298? Alfa-Aesar
Boiling_Point 297-298° Alfa-Aesar
Melting_Point 58-64? Alfa-Aesar
Melting_Point 58-64° Alfa-Aesar
MP 64 - 66 Enamine Building Blocks
Melting_Point 64-68? Alfa-Aesar
Melting_Point 64-68° Alfa-Aesar
MP 64...66 Enamine Building Blocks
MP 65 - 67 Enamine Building Blocks
Mp [°C] 65 - 68 Acros Organics
MP 67 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H300: Fatal if swallowed Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap an Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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