UCSF

ZINC00388563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 No

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) 1.07 4.08 -5.58 0 2 0 20 129.203 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 10-11? Alfa-Aesar
Melting_Point 10-11° Alfa-Aesar
BP 190 TCI
Boiling_Point 195-196? Alfa-Aesar
Boiling_Point 195-196° Alfa-Aesar
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0008368A1; EP0034876A2; EP0064878A1; EP0102062A2; EP0171217A2; EP0173441A1; EP0181779A1; EP0181779B1; EP0188383A2; EP0188383B1; EP0206021A1; EP0234045A2; EP0234045B1; EP0234514A2; EP0274259A2; EP0275312A1; EP0291853A2; EP0291853B1; EP0302441A2; EP030244 IBM Patent Data

Activity (Go SEA)

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

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