UCSF

ZINC01608901

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) 0.82 2.64 -5.55 0 2 0 26 86.09 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 75 Acros Organics
Melting_Point 75? Alfa-Aesar
Melting_Point 75° Alfa-Aesar
Boiling_Point 79-81? Alfa-Aesar
Boiling_Point 79-81° Alfa-Aesar
BP [°C] 80 Acros Organics
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H317: May cause an allergic skin reaction; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H331: Toxic if inhaled; H225: Highly flam Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P240: Ground/Bond container and receiving equipment; P273: Avoid release to the environment; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a positio Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
S phrase S9: Keep container in a well-ventilated place.; S25: Avoid contact with eyes.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S33: Take precautionary measures against static discharges.; S36/37: Wear su Acros Organics

Activity (Go SEA)

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

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