UCSF

ZINC60119129

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 13 Yes

Popular Name: (5S,7R)-1-chloro-2-diazo-adamantane (5S,7R)-1-chloro-2-diazo-adamantane

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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) 3.17 5.41 -3.89 0 2 0 37 196.681 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0863906A2; US6107036 IBM Patent Data

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Rings

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

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