UCSF

ZINC62800110

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 Yes

Popular Name: 4-[2-(4-pyridyl)ethoxy]indan-1-one 4-[2-(4-pyridyl)ethoxy]indan-1-one

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) 2.25 7.77 -9.45 0 3 0 39 253.301 4 ↓
Lo Low (pH 4.5-6) 2.25 8.23 -41.82 1 3 1 40 254.309 4 ↓

Activity (Go SEA)

Rings

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

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