UCSF

ZINC00394909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

CAS Number: 3007-97-4

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) 3.31 2.37 -7.92 0 2 0 26 200.237 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 308-310? Alfa-Aesar
Boiling_Point 308-310° Alfa-Aesar
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP0534257B1; US5306688 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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