UCSF

ZINC19345791

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 26 Yes

Popular Name: 1,4-Bis(1,3-benzodioxol-5-ylmethyl)piperazine; BRN 0900168; LS-110394; Piperazine, 1,4-bis(1,3-benzodioxol-5-ylmethyl)- 1,4-Bis(1,3-benzodioxol-5-ylmeth…

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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) 2.81 6.71 -50.3 1 6 1 45 355.414 4 ↓
Mid Mid (pH 6-8) 2.81 4.33 -9.76 0 6 0 43 354.406 4 ↓

Activity (Go SEA)

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