UCSF

ZINC49331258

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 Yes

Popular Name: (1R,5S)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-methyl-N-[2-(2-methyli…

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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) 0.66 7.8 -76.75 3 4 2 39 250.39 4 ↓
Hi High (pH 8-9.5) 0.66 7.33 -41.58 2 4 1 38 249.382 4 ↓
Mid Mid (pH 6-8) 0.66 6.71 -93.5 3 4 2 36 250.39 4 ↓
Mid Mid (pH 6-8) 0.66 7.52 -113.58 3 4 2 39 250.39 4 ↓
Lo Low (pH 4.5-6) 0.66 7.99 -174.44 4 4 3 40 251.398 4 ↓

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

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