UCSF

ZINC00155678

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) 1.46 3.9 -42.68 1 5 -1 78 222.22 5

Vendor Notes

Note Type Comments Provided By
MP 112-113° Oakwood Chemical
MP 114 TCI
Mp [°C] 74 - 80 Acros Organics
MP 83-84°C Indofine
Melting_Point 83-86? Alfa-Aesar
Melting_Point 83-86° Alfa-Aesar
Purity 95% Fluorochem
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.