UCSF

ZINC16083106

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 5 No

CAS Numbers: 26272-85-5 , [26272-85-5]

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) 1.16 1.97 -3.05 0 1 0 9 183.976 0

Vendor Notes

Note Type Comments Provided By
BP 165.9° Matrix Scientific
Boiling_Point 166? Alfa-Aesar
Boiling_Point 166° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

Activity (Go SEA)

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

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