UCSF

ZINC05309013

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 14 Yes

Other Names:

MFCD00963300

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) 4.17 2.18 -4.69 0 1 0 4 187.286 4

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5610294; US5811422; WO1993007128A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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