UCSF

ZINC83426139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2013 12 Yes

Popular Name: n-butyl-1-methylpiperidin-4-amine n-butyl-1-methylpiperidin-4-amine

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.54 2.26 -42.08 3 2 1 31 171.308 3 ↓
Mid Mid (pH 6-8) 1.54 4.25 -32.14 3 2 1 30 171.308 3 ↓
Mid Mid (pH 6-8) 1.54 4.57 -103.19 4 2 2 32 172.316 3 ↓

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

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