UCSF

ZINC03953475

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) 1.85 3.99 -7.36 0 5 0 58 208.217 2
Hi High (pH 8-9.5) 3.48 8.96 -60.45 5 9 1 127 509.59 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 148-152? Alfa-Aesar
Melting_Point 148-152° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000038634A1 IBM Patent Data

Activity (Go SEA)

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

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