UCSF

ZINC66180070

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 25 Yes

Popular Name: benzenemethanamine, a-ethyl-N-[(2-methylphenyl)methyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzenemethanamine, a-ethyl-N-[(…

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) 3.89 10.77 -40.49 2 3 1 35 340.487 8 ↓
Mid Mid (pH 6-8) 3.89 9.87 -6.81 1 3 0 30 339.479 8 ↓

Activity (Go SEA)

Rings

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

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