UCSF

ZINC41585238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

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

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) 4.78 8.05 -8.91 1 5 0 57 412.917 3 ↓
Mid Mid (pH 6-8) 4.78 11.02 -30.6 1 5 0 61 412.917 3 ↓
Mid Mid (pH 6-8) 4.78 8.8 -41.91 0 5 -1 60 411.909 3 ↓
Mid Mid (pH 6-8) 4.78 10.25 -48.04 2 5 1 58 413.925 3 ↓

Activity (Go SEA)

Rings

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

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