UCSF

ZINC62767642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 17 Yes

Popular Name: N-[2-(azocan-1-yl)ethyl]tetrahydropyran-4-amine N-[2-(azocan-1-yl)ethyl]tetrahyd…

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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) 2.42 6.62 -117.3 3 3 2 30 242.407 4 ↓
Mid Mid (pH 6-8) 2.42 5.32 -39.82 2 3 1 29 241.399 4 ↓
Mid Mid (pH 6-8) 2.42 5.46 -33.42 2 3 1 26 241.399 4 ↓

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Rings

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

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