UCSF

ZINC41585024

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(3-methoxyphenyl)methylen (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) 4.14 8.83 -52.14 2 8 1 86 501.559 6 ↓
Hi High (pH 8-9.5) 4.14 7.14 -48.03 0 8 -1 87 499.543 6 ↓
Mid Mid (pH 6-8) 4.14 8.87 -46.49 2 8 1 86 501.559 6 ↓
Mid Mid (pH 6-8) 4.14 9.44 -31.7 1 8 0 89 500.551 6 ↓
Mid Mid (pH 6-8) 4.14 6.58 -13.76 1 8 0 85 500.551 6 ↓

Activity (Go SEA)

Rings

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