UCSF

ZINC19536422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 17 Yes

Popular Name: 1-Methyl-4-(3,4-methylenedioxybenzyl)piperazine; 1-Methyl-4-piperonylpiperazine; BRN 0798407; LS-112869; Piperazine, 1-methyl-4-(3,4-methylenedioxybenzyl)- 1-Methyl-4-(3,4-methylenedioxybe…

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) 1.52 4.6 -39.82 1 4 1 26 235.307 2 ↓
Mid Mid (pH 6-8) 1.52 4.47 -40.89 1 4 1 26 235.307 2 ↓
Mid Mid (pH 6-8) 1.52 2.13 -5.73 0 4 0 25 234.299 2 ↓

Activity (Go SEA)

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