UCSF

ZINC00394665

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 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) 3.38 -0.61 -3.12 1 1 0 20 177.03 0

Vendor Notes

Note Type Comments Provided By
BP 225 TCI
Boiling_Point 225? lit. Alfa-Aesar
Melting_Point 52-56? Alfa-Aesar
MP 53 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO1998007695A1 IBM Patent Data

Activity (Go SEA)

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