UCSF

ZINC58558336

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,6R)-4-(5-ethoxy-3-pyridyl)-4,9-diazabicyclo[4.2.1]nonane (1S,6R)-4-(5-ethoxy-3-pyridyl)-4…

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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) 1.84 3.17 -40.77 2 4 1 42 248.35 3 ↓
Hi High (pH 8-9.5) 1.84 1.98 -5.13 1 4 0 37 247.342 3 ↓
Lo Low (pH 4.5-6) 1.84 4.09 -87.58 3 4 2 43 249.358 3 ↓

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

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