UCSF

ZINC02572720

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) 4.24 0.12 -52.04 1 5 -1 78 278.328 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 101-107? Alfa-Aesar
Melting_Point 101-107° Alfa-Aesar
MP 107 - 109 Enamine Building Blocks
MP 107...109 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
Boiling_Point n.d. Squarix
PUBCHEM_PATENT_ID US4714757 IBM Patent Data

Activity (Go SEA)

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