UCSF

ZINC41585319

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-7-[[4-(3-chlorophenyl)piper…

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) 4.00 8.66 -11.87 1 6 0 70 447.922 4 ↓
Mid Mid (pH 6-8) 4.00 9.26 -46.32 0 6 -1 73 446.914 4 ↓
Mid Mid (pH 6-8) 4.00 10.91 -47.51 2 6 1 71 448.93 4 ↓
Mid Mid (pH 6-8) 4.00 11.48 -30.64 1 6 0 74 447.922 4 ↓

Activity (Go SEA)

Rings

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

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