UCSF

ZINC44380634

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 18 Yes

Popular Name: N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-ethylamine N-[2-(4-benzylpiperidin-1-yl)eth…

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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) 2.73 7.4 -37.02 2 2 1 20 247.406 6 ↓
Mid Mid (pH 6-8) 2.73 9.63 -113.13 3 2 2 21 248.414 6 ↓
Mid Mid (pH 6-8) 2.73 8.27 -34.54 2 2 1 16 247.406 6 ↓

Activity (Go SEA)

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