UCSF

ZINC60474122

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 19 Yes

Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[(4-methoxyphenyl)methyl]-N-me…

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) 2.31 6.04 -6.11 0 3 0 25 256.349 6 ↓
Mid Mid (pH 6-8) 2.31 6.49 -35.21 1 3 1 27 257.357 6 ↓
Mid Mid (pH 6-8) 2.31 8.36 -46.79 1 3 1 27 257.357 6 ↓

Activity (Go SEA)

Rings

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

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