UCSF

ZINC41585020

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-[(4-ethoxyphenyl)methylene]-6-hydrox (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.54 9.77 -54.94 2 8 1 86 515.586 7 ↓
Hi High (pH 8-9.5) 4.54 8.09 -45.41 0 8 -1 87 513.57 7 ↓
Mid Mid (pH 6-8) 4.54 9.81 -49.78 2 8 1 86 515.586 7 ↓
Mid Mid (pH 6-8) 4.54 10.38 -33.94 1 8 0 89 514.578 7 ↓
Mid Mid (pH 6-8) 4.54 7.52 -12.94 1 8 0 85 514.578 7 ↓

Activity (Go SEA)

Rings

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