UCSF

ZINC06681907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 16 No

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) 2.17 2.07 -32.61 1 3 1 30 220.292 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0306827A1; EP0306827B1; US4053471; US5736548; US5958929 IBM Patent Data
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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

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