UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

29873034
29873034
29873042
29873042
13148245
13148245
15494944
15494944

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N'-[2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetyl]benzohydra 2-chloro-N'-[2-[[4-oxo-5-(2-thie…

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) 3.38 8.27 -24.01 3 7 0 104 491.019 7 ↓
Hi High (pH 8-9.5) 3.84 7.17 -53.5 2 7 -1 107 490.011 7 ↓

Analogs

29873034
29873034
29873042
29873042
12764781
12764781
12766215
12766215
12755777
12755777

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetyl]benzohydrazide N'-[2-[[4-oxo-5-(2-thienyl)-3H-t…

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) 2.75 7.75 -23.12 3 7 0 104 456.574 7 ↓
Hi High (pH 8-9.5) 3.21 6.65 -52.49 2 7 -1 107 455.566 7 ↓

Parameters Provided:

ring.id = 147970
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 = 147970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=147970&filter.purchasability=annotated

Embed Link to Results