UCSF

ZINC61380881

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: (1R,5S)-9-[2-[2-methoxyethyl(methyl)amino]ethyl]-N-propyl-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) 2.29 6.78 -86.88 3 4 2 34 299.503 9 ↓
Hi High (pH 8-9.5) 2.29 4.34 -39.5 2 4 1 32 298.495 9 ↓
Mid Mid (pH 6-8) 2.29 8.16 -196.91 4 4 3 35 300.511 9 ↓
Lo Low (pH 4.5-6) 2.29 5.74 -105.8 3 4 2 34 299.503 9 ↓

Activity (Go SEA)

Rings

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

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