UCSF

ZINC11535654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 16 Yes

Popular Name: 1-[2-(2-pyridyl)ethyl]azocane 1-[2-(2-pyridyl)ethyl]azocane

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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) 2.89 1.04 -32.39 1 2 1 17 219.352 3 ↓
Lo Low (pH 4.5-6) 2.89 1.17 -95.04 2 2 2 19 220.36 3 ↓

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Rings

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

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