UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1,1-dioxothiolan-3-yl)-5-[(4-hydroxyphenyl)aminomethylene]-4-methyl-2,6-dioxo-pyridine-3-carbonit 1-(1,1-dioxothiolan-3-yl)-5-[(4-…

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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) 0.62 2.44 -28.05 2 8 0 129 387.417 3 ↓

Analogs

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Popular Name: 1-(1,1-dioxothiolan-3-yl)-5-[(4-hydroxyphenyl)aminomethylene]-4-methyl-2,6-dioxo-pyridine-3-carbonit 1-(1,1-dioxothiolan-3-yl)-5-[(4-…

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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) 0.62 2.45 -29.74 2 8 0 129 387.417 3 ↓

Analogs

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Popular Name: 5-[(3,4-dimethoxyphenyl)aminomethylene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-pyridine-3-carb 5-[(3,4-dimethoxyphenyl)aminomet…

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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) 0.74 -1.8 -32.27 1 9 0 127 431.47 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,4-dimethoxyphenyl)aminomethylene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxo-pyridine-3-carb 5-[(3,4-dimethoxyphenyl)aminomet…

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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) 0.74 -1.8 -30.6 1 9 0 127 431.47 5 ↓

Analogs

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Popular Name: (5Z)-5-[[(3,4-difluorophenyl)amino]methylene]-1-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2,6-dioxo-pyri (5Z)-5-[[(3,4-difluorophenyl)ami…

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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) 1.35 5.48 -30.76 1 7 0 109 407.398 3 ↓

Analogs

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Popular Name: (5Z)-5-[[(3,4-difluorophenyl)amino]methylene]-1-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-2,6-dioxo-pyri (5Z)-5-[[(3,4-difluorophenyl)ami…

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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) 1.35 5.44 -28.46 1 7 0 109 407.398 3 ↓

Parameters Provided:

ring.id = 7136
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 = 7136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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