UCSF

ZINC41585268

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-(3-chlorophenyl)piperazin-1-yl]methyl]-2-[(2,3-dimethoxyphenyl)methylene]-6-hydroxy-4-met (2Z)-7-[[4-(3-chlorophenyl)piper…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 5.37 10.06 -12.22 1 7 0 75 521.013 6 ↓
Mid Mid (pH 6-8) 5.37 10.65 -44.01 0 7 -1 78 520.005 6 ↓
Mid Mid (pH 6-8) 5.37 12.87 -34.25 1 7 0 79 521.013 6 ↓
Mid Mid (pH 6-8) 5.37 12.31 -55.4 2 7 1 77 522.021 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.