UCSF

ZINC49400905

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 31 Yes

Popular Name: N-(4-methoxyphenyl)-2-[4-oxo-6-(p-tolylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide N-(4-methoxyphenyl)-2-[4-oxo-6-(…

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) 2.46 11.37 -50.88 2 7 1 78 419.505 6 ↓
Hi High (pH 8-9.5) 2.46 9.08 -22 1 7 0 76 418.497 6 ↓

Activity (Go SEA)

Rings

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

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