UCSF

ZINC61380875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 18 Yes

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

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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) 0.50 3.47 -95.29 4 4 2 45 257.422 6 ↓
Hi High (pH 8-9.5) 0.50 1.06 -42.21 3 4 1 43 256.414 6 ↓
Mid Mid (pH 6-8) 0.50 4.92 -201.69 5 4 3 46 258.43 6 ↓
Lo Low (pH 4.5-6) 0.50 2.5 -104.8 4 4 2 45 257.422 6 ↓

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Rings

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

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