UCSF

ZINC00138621

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.28 1.55 -3.32 0 1 0 4 269.085 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 128-133? Alfa-Aesar
Melting_Point 128-133° Alfa-Aesar
MP 131-133° Matrix Scientific
Purity 97 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.