UCSF

ZINC62850745

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 Yes

Popular Name: N-[(4-ethyl-4-piperidyl)methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[(4-ethyl-4-piperidyl)methyl]-…

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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) 1.64 7.79 -104.92 3 3 2 34 263.429 6 ↓
Hi High (pH 8-9.5) 1.64 7.59 -41.08 2 3 1 33 262.421 6 ↓

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

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