UCSF

ZINC00897131

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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) 1.99 3.79 -3.44 0 1 0 9 108.14 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 37 Acros Organics
Melting_Point 37? Alfa-Aesar
Melting_Point 37° Alfa-Aesar
Boiling_Point 153-154? Alfa-Aesar
Boiling_Point 153-154° Alfa-Aesar
BP [°C] 154 Acros Organics
BP 154° Oakwood Chemical
Purity >99% Fluorochem
Patent Database Links EP0791580; EP0958861; EP1092712; EP1229012; EP1331005; EP1375468; EP1422213; EP1426358; EP1435357; EP1454899; EP1574509; EP1577310; EP1586578; EP1604649; EP1604694; EP1661891; EP1674444; EP1688431; EP1873152; EP1894926; EP1913941; EP1953140; EP1964843; GB ChEBI
H phrase H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
UniProt Database Links OR24A_DROME; OR30A_DROME; OR45B_DROME; OR59A_DROME; OR67B_DROME; OR74A_DROME ChEBI
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower; P403 + P233: Store in a well-ven Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R66: Repeated exposure may cause skin dryness or cracking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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.