UCSF

ZINC22041254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 Yes

Popular Name: 1-(2-Benzylbenzyl)-4-benzylpiperazine di(hydrogen maleate); 1-(Phenylmethyl)-4-((2-(phenylmethyl)phenyl)methyl)piperazine dimaleate; LS-113102; Piperazine, 1-(phenylmethyl)-4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:2) 1-(2-Benzylbenzyl)-4-benzylpiper…

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) 4.94 13.51 -39.66 1 2 1 8 357.521 6 ↓
Mid Mid (pH 6-8) 4.94 14.11 -39.51 1 2 1 8 357.521 6 ↓
Mid Mid (pH 6-8) 4.94 11.84 -3.95 0 2 0 6 356.513 6 ↓

Activity (Go SEA)

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