UCSF

ZINC00003182

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) 0.67 2.1 -5.3 0 2 0 26 108.144 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 154-155? Alfa-Aesar
Boiling_Point 154-155° Alfa-Aesar
BP [°C] 155 Acros Organics
BP 155° Fluorochem
Melting_Point 15? Alfa-Aesar
Melting_Point 15° Alfa-Aesar
Purity 95+% Matrix Scientific
Purity 97% APIChem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0203722A1; EP0327239A1; EP0327239B1; US4902707; US4940718; US5011938; US5019571 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P270: Do not eat, drink or smoke when using this product; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective Acros Organics
R phrase R22: Harmful if swallowed. 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.