UCSF

ZINC62566292

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 11 Yes

Popular Name: (1S,6R)-9-ethyl-4,9-diazabicyclo[4.2.1]nonane (1S,6R)-9-ethyl-4,9-diazabicyclo…

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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 2.98 -35.09 2 2 1 20 155.265 1 ↓
Hi High (pH 8-9.5) 0.66 1.62 -0.76 1 2 0 15 154.257 1 ↓
Mid Mid (pH 6-8) 0.66 3.2 -27.31 2 2 1 16 155.265 1 ↓
Lo Low (pH 4.5-6) 0.66 4.55 -100.8 3 2 2 21 156.273 1 ↓

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Rings

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

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