UCSF

ZINC41584884

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(3,4-dimethoxyphenyl)methylene]-6-hydroxy-benzofuran-3-on (2Z)-7-[(4-benzylpiperazin-1-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) 3.87 10.14 -50.31 2 7 1 77 487.576 7 ↓
Hi High (pH 8-9.5) 3.87 8.41 -43.3 0 7 -1 78 485.56 7 ↓
Mid Mid (pH 6-8) 3.87 10.7 -32.98 1 7 0 79 486.568 7 ↓
Mid Mid (pH 6-8) 3.87 7.84 -11.81 1 7 0 75 486.568 7 ↓
Mid Mid (pH 6-8) 3.87 10.09 -50 2 7 1 77 487.576 7 ↓

Activity (Go SEA)

Rings

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