UCSF

ZINC00157490

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) 2.51 4.11 -7.89 1 3 0 47 166.176 3
Hi High (pH 8-9.5) 2.51 5.12 -49.72 0 3 -1 49 165.168 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 1? Alfa-Aesar
Melting_Point Alfa-Aesar
Mp [°C] 2 - 3 Acros Organics
BP 231 TCI
Boiling_Point 232? Alfa-Aesar
Boiling_Point 232° Alfa-Aesar
BP [°C] 234 Acros Organics
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
P phrase P280: Wear protective gloves/protective clothing 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% )