UCSF

ZINC66180066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 28 Yes

Popular Name: benzenemethanamine, a-ethyl-N-[(2-methylphenyl)methyl]-4-(2-phenoxyethoxy)- 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) 5.19 13.13 -41.5 2 3 1 35 376.52 10 ↓
Mid Mid (pH 6-8) 5.19 12.23 -7.53 1 3 0 30 375.512 10 ↓

Activity (Go SEA)

Rings

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

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