UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-(2-furylmethyl)acetamide 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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) 0.53 8.41 -60.01 2 9 1 98 403.488 6 ↓
Mid Mid (pH 6-8) 0.53 6.18 -22.9 1 9 0 97 402.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]-N-[(5-methyl-2-furyl)methyl]acetam 2-[2-(4-ethylpiperazin-1-yl)-7-o…

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) 0.76 9.23 -59.89 2 9 1 98 417.515 6 ↓
Mid Mid (pH 6-8) 0.76 7.02 -22.81 1 9 0 97 416.507 6 ↓

Parameters Provided:

ring.id = 503674
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 = 503674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=503674&filter.purchasability=annotated

Embed Link to Results