UCSF

ZINC00154477

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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) -0.12 2.99 -42.09 1 5 -1 78 208.193 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 117 - 121 Acros Organics
MP 118-122 °C(lit.) Indofine
Melting_Point 119-122? Alfa-Aesar
Melting_Point 119-122° Alfa-Aesar
MP 120 TCI
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
melting_point 122 - 124 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
SOLUBILITY methanol: 0.1 g/mL, clear Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US4118742; US4174454; US4230868; US4289782; US4338329; US4401817 IBM Patent Data

Activity (Go SEA)

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

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