UCSF

ZINC41585881

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran- (2Z)-2-[(3,4-dimethoxyphenyl)met…

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) 3.27 8.57 -41.05 2 8 1 90 474.537 6 ↓
Hi High (pH 8-9.5) 3.27 8.83 -43.91 0 8 -1 91 472.521 6 ↓
Mid Mid (pH 6-8) 3.27 10.83 -114.96 3 8 2 91 475.545 6 ↓
Mid Mid (pH 6-8) 3.27 8.24 -14.05 1 8 0 88 473.529 6 ↓
Lo Low (pH 4.5-6) 3.27 10.51 -53.54 2 8 1 89 474.537 6 ↓

Activity (Go SEA)

Rings

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