UCSF

ZINC53345702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 Yes

Popular Name: 2-(azocan-1-yl)-N-(2-pyridylmethyl)ethanamine 2-(azocan-1-yl)-N-(2-pyridylmeth…

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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) 2.27 6.43 -34.54 2 3 1 29 248.394 5 ↓
Mid Mid (pH 6-8) 2.27 6.48 -38.49 2 3 1 33 248.394 5 ↓
Mid Mid (pH 6-8) 2.27 7.79 -114.95 3 3 2 34 249.402 5 ↓

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Rings

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

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