UCSF

ZINC62800387

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 No

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

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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) 2.31 5.64 -8.7 1 4 0 55 268.316 4 ↓
Lo Low (pH 4.5-6) 2.31 6.1 -40.74 2 4 1 56 269.324 4 ↓

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

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