UCSF

ZINC61380877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 Yes

Popular Name: (1R,5S)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[2-[2-methoxyethyl(met…

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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) 1.41 5.17 -85.93 3 4 2 34 271.449 7 ↓
Hi High (pH 8-9.5) 1.41 2.74 -39.97 2 4 1 32 270.441 7 ↓
Mid Mid (pH 6-8) 1.41 6.56 -192.49 4 4 3 35 272.457 7 ↓
Lo Low (pH 4.5-6) 1.41 4.16 -103.2 3 4 2 34 271.449 7 ↓

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Rings

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

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