UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-methyl-5-oxo-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-3-yl)methyl (7-methyl-5-oxo-9-thia-2,6-diaza…

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) 3.00 2.11 -14.89 0 5 0 60 332.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl (2-methyl-5-oxo-thiazolo[3,2-a]p…

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) 2.88 9.77 -13.25 0 5 0 61 314.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl (2-methyl-5-oxo-thiazolo[3,2-a]p…

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) 3.39 11.05 -12.2 0 5 0 61 342.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl (2-methyl-5-oxo-thiazolo[3,2-a]p…

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) 3.39 10.97 -12.17 0 5 0 61 342.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl (5-oxothiazolo[3,2-a]pyrimidin-7…

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) 2.39 6.87 -14.83 1 6 0 81 348.355 5 ↓
Mid Mid (pH 6-8) 2.39 7.31 -39.97 2 6 1 82 349.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl (5-oxothiazolo[3,2-a]pyrimidin-7…

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) 2.39 6.86 -14.64 1 6 0 81 348.355 5 ↓
Mid Mid (pH 6-8) 2.39 7.3 -39.94 2 6 1 82 349.363 5 ↓

Parameters Provided:

ring.id = 2875
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 = 2875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2875&filter.purchasability=annotated

Embed Link to Results