UCSF

ZINC38740698

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 33 Yes

Popular Name: 1-ethyl-N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-7-methyl-4-oxo-1,8-na 1-ethyl-N-[2-(5-ethyl-4-methyl-6…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.21 10.88 -68.37 1 10 -1 131 446.491 5 ↓
Mid Mid (pH 6-8) 1.75 12.29 -27.8 2 10 0 128 447.499 5 ↓

Activity (Go SEA)

Rings

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

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