UCSF

ZINC04262145

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) 4.68 12.89 -54.41 1 5 -1 78 386.427 7
Hi High (pH 8-9.5) 3.07 5.61 -3.93 0 1 0 12 175.275 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 180-185? Alfa-Aesar
Melting_Point 180-185° Alfa-Aesar
MP 180-187 °C(lit.) Indofine
MP 183 TCI
Mp [°C] 183 - 187 Acros Organics
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity 99% APIChem
P phrase P262: Do not get in eyes, on skin, or on clothing Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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