UCSF

ZINC33222714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2009 27 Yes

Popular Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(1H-indol-6-yl)methanone [4-(2,3-dihydrobenzofuran-5-ylme…

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) 2.42 7.45 -13.2 1 5 0 49 361.445 3 ↓
Mid Mid (pH 6-8) 2.42 9.67 -54.03 2 5 1 50 362.453 3 ↓

Activity (Go SEA)

Rings

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

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