UCSF

ZINC00086626

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) 0.66 3.82 -21.88 1 2 0 29 140.211 0

Vendor Notes

Note Type Comments Provided By
mp 126 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 213-216? Alfa-Aesar
Melting_Point 213-216° Alfa-Aesar
MP 219 TCI
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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

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