UCSF

ZINC41585028

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-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-(m-tolylmethylene)benzofur (2Z)-7-[[4-(1,3-benzodioxol-5-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) 4.54 9.89 -50.53 2 7 1 77 485.56 5 ↓
Hi High (pH 8-9.5) 4.54 8.41 -45.28 0 7 -1 78 483.544 5 ↓
Mid Mid (pH 6-8) 4.54 9.89 -48.76 2 7 1 77 485.56 5 ↓
Mid Mid (pH 6-8) 4.54 10.65 -31.76 1 7 0 79 484.552 5 ↓
Mid Mid (pH 6-8) 4.54 7.64 -10.94 1 7 0 75 484.552 5 ↓

Activity (Go SEA)

Rings

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

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