UCSF

ZINC02382126

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) 2.78 0.84 -3.92 1 1 0 20 210.582 2

Vendor Notes

Note Type Comments Provided By
MP 56-60° Oakwood Chemical
Melting_Point 57-60? Alfa-Aesar
Melting_Point 57-60° Alfa-Aesar
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0945437A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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