UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-methylpyrazol-3-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-methylpyrazol-3-yl)-3-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.43 6.21 -11.11 2 7 0 84 261.314 3 ↓
Lo Low (pH 4.5-6) 1.43 6.37 -33.25 3 7 1 86 262.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-ethylpyrazol-3-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-ethylpyrazol-3-yl)-3-methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.80 7.08 -10.85 2 7 0 84 275.341 4 ↓
Lo Low (pH 4.5-6) 1.80 7.25 -32.3 3 7 1 86 276.349 4 ↓

Parameters Provided:

ring.id = 249916
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 249916 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=249916&filter.purchasability=annotated

Embed Link to Results