UCSF

ZINC19685482

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 12 Yes

Popular Name: N-[2-(2-ethylpiperidin-1-yl)ethyl]-N-methylamine N-[2-(2-ethylpiperidin-1-yl)ethy…

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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) 1.90 5.64 -108.33 3 2 2 21 172.316 4 ↓
Mid Mid (pH 6-8) 1.90 3.42 -38.29 2 2 1 20 171.308 4 ↓
Mid Mid (pH 6-8) 1.90 4.14 -30.17 2 2 1 16 171.308 4 ↓

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

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