UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35461356
35461356

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-[2-[(3R)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-furylmethyl)-2-[2-[(3R)-3-m…

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) 1.42 8.49 -23.53 1 8 0 93 387.465 5 ↓

Analogs

35461356
35461356

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-[2-[(3S)-3-methyl-1-piperidyl]-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(2-furylmethyl)-2-[2-[(3S)-3-m…

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) 1.42 8.51 -23.37 1 8 0 93 387.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-1-[6-[2-[(5-methyl-2-furyl)methylamino]-2-oxo-ethyl]-7-oxo-thiazolo[4,5-d]pyrimidin-2-y (3R)-N-ethyl-1-[6-[2-[(5-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) 0.74 7.72 -25.49 2 10 0 122 458.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-1-[6-[2-[(5-methyl-2-furyl)methylamino]-2-oxo-ethyl]-7-oxo-thiazolo[4,5-d]pyrimidin-2-y (3S)-N-ethyl-1-[6-[2-[(5-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) 0.74 7.73 -25.68 2 10 0 122 458.544 7 ↓

Parameters Provided:

ring.id = 503716
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 = 503716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=503716&filter.purchasability=annotated

Embed Link to Results