UCSF

ZINC14629091

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 13 Yes

Popular Name: N,N-Diethyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride N,N-Diethyl-8-azabicyclo[3.2.1]o…

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CAS Number: 1185301-72-7

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) 1.65 5.26 -32.25 2 2 1 20 183.319 3 ↓
Mid Mid (pH 6-8) 1.65 5.58 -95.51 3 2 2 21 184.327 3 ↓
Mid Mid (pH 6-8) 1.65 4.37 -26 2 2 1 16 183.319 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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