UCSF

ZINC62841737

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 18 Yes

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

Find On: PubMed — Wikipedia — Google

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) 1.31 7.17 -103.2 3 3 2 34 249.402 5 ↓
Hi High (pH 8-9.5) 1.31 5.64 -40.95 2 3 1 33 248.394 5 ↓

Activity (Go SEA)

Rings

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

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