UCSF

ZINC14587983

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 14 No

Popular Name: LS-47337 LS-47337

Find On: PubMed — Wikipedia — Google

CAS Number: [10376-48-4]

Other Names:

MFCD06799428

Shionone

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) 3.08 7.91 -4.58 0 1 0 17 194.318 2 ↓
Ref Reference (pH 7) 3.08 7.81 -4.84 0 1 0 17 194.318 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0684299B1 IBM Patent Data

Activity (Go SEA)

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

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