UCSF

ZINC00388102

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) 0.98 1.88 -99.27 5 2 2 44 158.289 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 16-18? Alfa-Aesar
Melting_Point 16-18° Alfa-Aesar
Boiling_Point 188-189? Alfa-Aesar
Boiling_Point 188-189° Alfa-Aesar
BP 93 / 18 TCI
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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