UCSF

ZINC21540908

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 22 Yes

Popular Name: 2-(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]pyrimidin-4-yl)-N-(3-methylsulfanylphenyl)acetamide 2-(2-methyl-6,7-dihydro-5H-pyraz…

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) 2.55 5.72 -16.42 1 5 0 50 316.43 4 ↓
Mid Mid (pH 6-8) 2.55 5.84 -32.01 2 5 1 51 317.438 4 ↓
Lo Low (pH 4.5-6) 2.55 7.44 -54.57 2 5 1 51 317.438 4 ↓

Activity (Go SEA)

Rings

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

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