UCSF

ZINC13542618

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 9 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) 0.89 -0.41 -5.94 3 2 0 46 127.118 0

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics
Melting_Point 156-158? Alfa-Aesar
MP 156-158° Matrix Scientific
Purity 95% Fluorochem
Purity >95% 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.