UCSF

ZINC42091344

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 25 Yes

Popular Name: N-(3-fluorophenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(3-fluorophenyl)-2-[4-methyl-6…

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) 1.78 5.91 -20.32 2 6 0 88 338.342 4 ↓
Hi High (pH 8-9.5) 2.23 4.06 -60.54 1 6 -1 91 337.334 4 ↓
Lo Low (pH 4.5-6) 1.78 6.37 -55.1 3 6 1 89 339.35 4 ↓

Activity (Go SEA)

Rings

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

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