UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]methylene]-2-methyl-isoxazolo[2,3-a]p (6Z)-7-imino-6-[[3-methoxy-4-[2-…

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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) 2.59 10.81 -19.43 1 7 0 90 449.532 7 ↓

Analogs

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Popular Name: (6Z)-6-[[3-ethoxy-4-[2-(p-tolylsulfanyl)ethoxy]phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]py (6Z)-6-[[3-ethoxy-4-[2-(p-tolyls…

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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) 2.96 11.73 -19.21 1 7 0 90 463.559 8 ↓

Analogs

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Popular Name: (6Z)-6-[[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]methylene]-7-imino-2-methyl-isoxazolo (6Z)-6-[[4-[2-(4-chlorophenyl)su…

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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) 2.82 10.65 -20.11 1 7 0 90 469.95 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-7-imino-6-[[3-methoxy-4-(2-phenylsulfanylethoxy)phenyl]methylene]-2-methyl-isoxazolo[2,3-a]pyri (6Z)-7-imino-6-[[3-methoxy-4-(2-…

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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) 2.14 10.13 -20.62 1 7 0 90 435.505 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[[3-ethoxy-4-(2-phenylsulfanylethoxy)phenyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrim (6Z)-6-[[3-ethoxy-4-(2-phenylsul…

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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) 2.52 11.05 -19.28 1 7 0 90 449.532 8 ↓

Parameters Provided:

ring.id = 67711
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 = 67711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=67711&filter.purchasability=annotated

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