UCSF

ZINC02035915

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) 0.95 3.87 -6.96 0 1 0 17 96.129 0

Vendor Notes

Note Type Comments Provided By
BP 108 / 75 TCI
Melting_Point 2? Alfa-Aesar
Melting_Point Alfa-Aesar
Mp [°C] 3 - 5 Acros Organics
MP 3-5° Oakwood Chemical
Boiling_Point 72-74?/15mm Alfa-Aesar
Boiling_Point 72-74°/15mm Alfa-Aesar
BP [°C] 74 (p=15 torr) Acros Organics
BP 74°/15mm Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US4359586 IBM Patent Data

Activity (Go SEA)

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