UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35896969
35896969
35896970
35896970
35896972
35896972

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Popular Name: 2-[(8S,8aR)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8S,8aR)-8-methyl-3-oxo-8-phe…

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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) -0.40 2.72 -11.26 3 6 0 79 320.418 3 ↓

Analogs

35896970
35896970
35896972
35896972
35896967
35896967

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Popular Name: 2-[(8R,8aR)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8R,8aR)-8-methyl-3-oxo-8-phe…

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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) -0.40 3.22 -11.27 3 6 0 79 320.418 3 ↓

Analogs

35896972
35896972
35896967
35896967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8S,8aS)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8S,8aS)-8-methyl-3-oxo-8-phe…

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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) -0.40 3.21 -11.08 3 6 0 79 320.418 3 ↓

Analogs

35896967
35896967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8R,8aS)-8-methyl-3-oxo-8-phenyl-6,8a-dihydro-5H-thiazolo[3,2-a]pyrazin-7-yl]acetohydrazide 2-[(8R,8aS)-8-methyl-3-oxo-8-phe…

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) -0.40 2.72 -11.58 3 6 0 79 320.418 3 ↓

Parameters Provided:

ring.id = 43750
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 = 43750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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