UCSF

ZINC00967324

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) -0.50 3.15 -19.68 0 2 0 25 95.101 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 270 Acros Organics
Boiling_Point 270? Alfa-Aesar
Boiling_Point 270° Alfa-Aesar
Mp [°C] 60 - 65 Acros Organics
Melting_Point 61-66? Alfa-Aesar
Melting_Point 61-66° Alfa-Aesar
MP 62 TCI
UniProt Database Links APO1_AGRAE ChEBI
Patent Database Links EP0889044; EP0934940; EP0943613; EP1010692; EP1072595; EP1072601; EP1256342; EP1357103; EP1580188; EP1661886; EP1700844; EP1891951; EP1911751; EP1916236; US2003092715; US2003232859; US2004122050; US2005004122; US2005020642; US2005038069; US2005095204; US2 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation 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; 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 protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; 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 XN: Harmful Acros Organics

Activity (Go SEA)

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

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