UCSF

ZINC05117052

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 8 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) 0.49 2.94 -10.23 1 3 0 33 107.116 0
Lo Low (pH 4.5-6) 0.49 3.32 -28.38 2 3 1 34 108.124 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0680472A1; US5215983; WO1995014673A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1994029295A1 IBM Patent Data

Activity (Go SEA)

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

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