UCSF

ZINC05286344

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.52 5.29 -5.72 1 2 0 29 158.204 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0751944A1; EP0751944B1; US5955481; WO1995026347A1; WO1996011196A1; WO1996026207A1 IBM Patent Data
PUBCHEM_PATENT_ID WO2000059502A1 IBM Patent Data

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

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