UCSF

ZINC01845494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 12 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) 3.16 2.49 -6.53 0 1 0 17 162.232 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 219-222? Alfa-Aesar
Boiling_Point 219-222° Alfa-Aesar
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0748247A1; US5964996; WO1995022390A1 IBM Patent Data

Activity (Go SEA)

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