UCSF

ZINC00056436

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) -0.44 5.59 -57.72 0 5 -1 70 214.241 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 101-104? Alfa-Aesar
Melting_Point 101-104° Alfa-Aesar
Melting_Point 132-136? Alfa-Aesar
Melting_Point 132-136° Alfa-Aesar
MP 133 - 135 Enamine Building Blocks
Mp [°C] 133 - 136 Acros Organics
MP 133-135 °C(lit.) Indofine
MP 133-135° Oakwood Chemical
MP 136 TCI
MP 136 - 138 Enamine Building Blocks
MP 136...138 Enamine Building Blocks
MP 136° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0489070B1 IBM Patent Data
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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