UCSF

ZINC66180149

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: benzenemethanamine, 3-methoxy-N-[(2-methylphenyl)methyl]-4-[(tetrahydro-2-furanyl)methoxy]- benzenemethanamine, 3-methoxy-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) 3.32 9.42 -51.62 2 4 1 44 342.459 8 ↓
Hi High (pH 8-9.5) 3.32 8.06 -10.37 1 4 0 40 341.451 8 ↓

Activity (Go SEA)

Rings

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

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