UCSF

ZINC42447285

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 Yes

Popular Name: N-[2-(4-ethyl-1-piperidyl)ethyl]propan-1-amine N-[2-(4-ethyl-1-piperidyl)ethyl]…

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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) 2.49 7.44 -111.74 3 2 2 21 200.37 6 ↓
Mid Mid (pH 6-8) 2.49 5.22 -36.33 2 2 1 20 199.362 6 ↓
Mid Mid (pH 6-8) 2.49 6.09 -31.92 2 2 1 16 199.362 6 ↓

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Rings

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