UCSF

ZINC49547138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 No

Popular Name: 5-[2-(2-naphthyl)-2-oxo-ethoxy]-2-(thiomorpholinomethyl)pyran-4-one 5-[2-(2-naphthyl)-2-oxo-ethoxy]-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.57 13.14 -72.21 1 5 1 61 396.488 6 ↓
Hi High (pH 8-9.5) 2.57 11.01 -25.91 0 5 0 60 395.48 6 ↓

Activity (Go SEA)

Rings

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

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