UCSF

ZINC02038676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 5 Yes

CAS Numbers: 2366-52-1 , [2366-52-1]

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) 2.05 3.82 -1.53 0 0 0 0 76.114 2

Vendor Notes

Note Type Comments Provided By
BP 31.9°/745mm Matrix Scientific
BP 32-33° Fluorochem
Purity 97% Matrix Scientific
Warnings FLAMMABLE Matrix Scientific

Activity (Go SEA)

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

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