UCSF

ZINC34781692

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) -1.02 -0.75 -5.82 2 3 0 52 89.094 2

Vendor Notes

Note Type Comments Provided By
MP 166 TCI
Mp [°C] 173 - 177 Acros Organics
MP 175 °C (dec.)(lit.) Indofine
MP 48 - 50 Enamine Building Blocks
MP 48...50 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% min APIChem
Purity 99.49% Fluorochem
SOLUBILITY >1000 g/L (20°C) Indofine
Melting_Point ca 175? dec. Alfa-Aesar
Melting_Point ca 175° dec. Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.