UCSF

ZINC04261816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.46 -0.55 -60.94 1 6 1 52 395.479 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 174 - 179 Acros Organics
Mp [°C] 180 Acros Organics
H phrase H300: Fatal if swallowed Acros Organics
H phrase H300: Fatal if swallowed; H412: Harmful to aquatic life with long lasting effects; H330: Fatal if inhaled Acros Organics
H phrase H330: Fatal if inhaled Acros Organics
H phrase H330: Fatal if inhaled; H412: Harmful to aquatic life with long lasting effects; H300: Fatal if swallowed Acros Organics
H phrase H412: Harmful to aquatic life with long lasting effects Acros Organics
H phrase H412: Harmful to aquatic life with long lasting effects; H300: Fatal if swallowed; H330: Fatal if inhaled 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; P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P273 Acros Organics
R phrase R26/28: Very toxic by inhalation and if swallowed. Acros Organics
R phrase R26/28: Very toxic by inhalation and if swallowed.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S13: Keep away from food, drink and animal feedingstuffs. Acros Organics
S phrase S13: Keep away from food, drink and animal feedingstuffs.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety data Acros Organics
Hazard T+: Very toxic Acros Organics

Activity (Go SEA)

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