UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-ethoxy-4-[(Z)-(7-imino-2-methyl-5-oxo-isoxazolo[2,3-a]pyrimidin-6-ylidene)methyl]phenyl] [2-ethoxy-4-[(Z)-(7-imino-2-meth…

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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) 1.83 9.64 -22.44 1 8 0 107 423.45 6 ↓

Analogs

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Popular Name: [2-chloro-4-[(Z)-(7-imino-2-methyl-5-oxo-isoxazolo[2,3-a]pyrimidin-6-ylidene)methyl]-6-methoxy-pheny [2-chloro-4-[(Z)-(7-imino-2-meth…

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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) 2.26 9.21 -24.16 1 8 0 107 443.868 5 ↓

Analogs

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Popular Name: [2-bromo-4-[(Z)-(7-imino-2-methyl-5-oxo-isoxazolo[2,3-a]pyrimidin-6-ylidene)methyl]-6-methoxy-phenyl [2-bromo-4-[(Z)-(7-imino-2-methy…

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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) 2.39 9.32 -23.96 1 8 0 107 488.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-bromo-6-ethoxy-4-[(Z)-(7-imino-2-methyl-5-oxo-isoxazolo[2,3-a]pyrimidin-6-ylidene)methyl]phenyl] [2-bromo-6-ethoxy-4-[(Z)-(7-imin…

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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) 2.76 10.23 -23.61 1 8 0 107 502.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-4-[(Z)-(7-imino-2-methyl-5-oxo-isoxazolo[2,3-a]pyrimidin-6-ylidene)methyl]phenyl] [2-chloro-4-[(Z)-(7-imino-2-meth…

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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) 2.47 9.5 -24.92 1 7 0 98 413.842 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-bromo-4-[(Z)-(7-imino-2-methyl-5-oxo-isoxazolo[2,3-a]pyrimidin-6-ylidene)methyl]phenyl] [2-bromo-4-[(Z)-(7-imino-2-methy…

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) 2.60 9.6 -24.63 1 7 0 98 458.293 4 ↓

Parameters Provided:

ring.id = 68006
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 = 68006 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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