UCSF

ZINC54956911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

Popular Name: 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol 1,3,5-trimethyl-3,7-diazabicyclo…

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CAS Numbers: 169177-17-7 , [169177-17-7]

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) 0.08 1.93 -32.95 3 3 1 40 185.291 0 ↓
Mid Mid (pH 6-8) 0.08 2.07 -26.03 3 3 1 37 185.291 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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

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