UCSF

ZINC31571228

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 28 Yes

Popular Name: LS-29144; N,N'-Dibenzyl-alpha,alpha'-dimethyl-p-benzenebis(ethylamine) dihydrochloride; p-Benzenebis(ethylamine), N,N'-dibenzyl-alpha,alpha'-dimethyl-, dihydrochloride; p-Bis(2-benzylaminopropyl)benzene dihydrochloride LS-29144; N,N'-Dibenzyl-alpha,al…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.32 13.68 -37.8 3 2 1 29 373.564 10 ↓
Hi High (pH 8-9.5) 5.32 12.65 -3.29 2 2 0 24 372.556 10 ↓
Mid Mid (pH 6-8) 5.32 14.72 -95.71 4 2 2 33 374.572 10 ↓

Activity (Go SEA)

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