UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: dimethyl dimethyl

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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) 1.90 7.99 -23.56 1 11 0 140 482.493 9 ↓

Analogs

39893953
39893953
39894052
39894052
39894053
39894053
39894054
39894054
39894061
39894061

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Popular Name: 5-[(2-methoxyphenyl)aminomethylene]-4-methyl-1-(2-morpholinoethyl)-2,6-dioxo-pyridine-3-carbonitrile 5-[(2-methoxyphenyl)aminomethyle…

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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) 1.46 5.44 -22.89 1 8 0 97 396.447 6 ↓

Analogs

39893987
39893987

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Popular Name: 5-[(3-acetylphenyl)aminomethylene]-4-methyl-1-(2-morpholinoethyl)-2,6-dioxo-pyridine-3-carbonitrile 5-[(3-acetylphenyl)aminomethylen…

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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) 1.33 6.33 -28.63 1 8 0 104 408.458 6 ↓

Analogs

39894051
39894051
39894052
39894052
39894053
39894053
39894054
39894054
39894055
39894055

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Popular Name: 5-[(2,5-dimethoxyphenyl)aminomethylene]-4-methyl-1-(2-morpholinoethyl)-2,6-dioxo-pyridine-3-carbonit 5-[(2,5-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) 1.50 4.75 -21.13 1 9 0 106 426.473 7 ↓

Analogs

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Popular Name: 5-[(4-dimethylaminophenyl)aminomethylene]-4-methyl-1-(2-morpholinoethyl)-2,6-dioxo-pyridine-3-carbon 5-[(4-dimethylaminophenyl)aminom…

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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) 1.56 6.34 -21.09 1 8 0 91 409.49 6 ↓

Parameters Provided:

ring.id = 7092
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 = 7092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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