UCSF

ZINC01648258

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) 1.16 3.69 -5.92 0 2 0 26 122.551 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 26 Acros Organics
Melting_Point 26? Alfa-Aesar
Melting_Point 26° Alfa-Aesar
BP [°C] 142 - 145 Acros Organics
Boiling_Point 142-144? Alfa-Aesar
Boiling_Point 142-144° Alfa-Aesar
BP 143 TCI
H phrase H331: Toxic if inhaled Acros Organics
H phrase H331: Toxic if inhaled; H301: Toxic if swallowed; H311: Toxic in contact with skin; H400: Very toxic to aquatic life 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; P361: Remove/Take off immediately all contaminated clothing; P310: Immediately call a POISON CENTER or doctor/physician; P302 + P350: IF ON SKIN: Gently wash with plenty of s Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R50: Very toxic to aquatic organisms. Acros Organics
S phrase S7/9: Keep container tightly closed and in a well-ventilated place. Acros Organics
S phrase S7/9: Keep container tightly closed and in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid releas Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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

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