UCSF

ZINC05759295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 19 Yes

Popular Name: Benzeneethanamine, N-(2-methylpropyl)-alpha-phenyl-, hydrochloride; Ethylamine, 1,2-diphenyl-N-isobutyl-, hydrochloride; LS-103545; NSC 34571; Phenethylamine, N-isobutyl-alpha-phenyl-, hydrochloride Benzeneethanamine, N-(2-methylpr…

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) 4.61 1.7 -34.46 2 1 1 16 254.397 6 ↓

Activity (Go SEA)

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