UCSF

ZINC41528782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 Yes

Popular Name: N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-isopropyl-3,5-dimethyl-pyra…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.42 7.35 -9.64 2 7 0 84 317.422 4 ↓
Lo Low (pH 4.5-6) 2.42 7.49 -30.17 3 7 1 86 318.43 4 ↓

Activity (Go SEA)

Rings

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

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