UCSF

ZINC02513867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 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) 2.48 -0.67 -3.3 0 1 0 13 192.443 0

Vendor Notes

Note Type Comments Provided By
BP 83-85°/8mm Oakwood Chemical
Purity 95% Matrix Scientific
Purity 97% Fluorochem
Melting_Point <30? Alfa-Aesar
Melting_Point <30° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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