UCSF

ZINC35630115

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 Yes

Popular Name: (8-Phenyl-1,4-dioxaspiro[4.5]dec-8-yl)methanamine (8-Phenyl-1,4-dioxaspiro[4.5]dec…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 443687-93-2 , 86328-17-8

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) 1.60 4.64 -44.15 3 3 1 46 248.346 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000025770A1; WO2000025774A1 IBM Patent Data

Activity (Go SEA)

Rings

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

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