UCSF

ZINC54956893

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 10 Yes

Popular Name: (1S*,6R*)-3-methyl-3,9-diazabicyclo[4.2.1]nonane (1S*,6R*)-3-methyl-3,9-diazabicy…

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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) 0.64 2.86 -32.28 2 2 1 16 141.238 0 ↓
Lo Low (pH 4.5-6) 0.64 4.06 -101.28 3 2 2 21 142.246 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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