UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16693760
16693760
16693964
16693964

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Popular Name: (5Z)-1,4-dimethyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5Z)-1,4-dimethyl-2,6-dioxo-5-[[…

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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) 3.77 8.86 -24.65 1 7 0 100 371.4 4 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5E)-1-ethyl-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5E)-1-ethyl-4-methyl-2,6-dioxo-…

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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) 4.14 10.05 -22.52 1 7 0 100 385.427 5 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5E)-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]-1-propyl-pyridine-3-carbonitrile (5E)-4-methyl-2,6-dioxo-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) 4.65 10.8 -22.45 1 7 0 100 399.454 6 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5E)-1-butyl-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5E)-1-butyl-4-methyl-2,6-dioxo-…

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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) 5.21 11.58 -22.35 1 7 0 100 413.481 7 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5E)-4-methyl-2,6-dioxo-1-pentyl-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5E)-4-methyl-2,6-dioxo-1-pentyl…

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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) 5.71 12.36 -22.27 1 7 0 100 427.508 8 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5E)-1-hexyl-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5E)-1-hexyl-4-methyl-2,6-dioxo-…

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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) 6.22 13.14 -22.22 1 7 0 100 441.535 9 ↓

Analogs

16693760
16693760

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Popular Name: (5Z)-1-isopropyl-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5Z)-1-isopropyl-4-methyl-2,6-di…

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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) 4.51 10.42 -23.53 1 7 0 100 399.454 5 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5E)-4-methyl-1-[(1R)-1-methylpropyl]-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-ca (5E)-4-methyl-1-[(1R)-1-methylpr…

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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) 5.01 11.7 -21.36 1 7 0 100 413.481 6 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5E)-4-methyl-1-[(1S)-1-methylpropyl]-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-ca (5E)-4-methyl-1-[(1S)-1-methylpr…

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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) 5.01 11.7 -21.36 1 7 0 100 413.481 6 ↓

Analogs

9419552
9419552
16693760
16693760

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Popular Name: (5Z)-1-isobutyl-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5Z)-1-isobutyl-4-methyl-2,6-dio…

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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) 4.89 11.13 -24.04 1 7 0 100 413.481 6 ↓

Analogs

16693760
16693760
5021829
5021829

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Popular Name: (5Z)-1-allyl-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbonitrile (5Z)-1-allyl-4-methyl-2,6-dioxo-…

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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) 4.41 10.4 -24.57 1 7 0 100 397.438 6 ↓

Analogs

9422457
9422457

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Popular Name: (5Z)-1-(2-methoxyethyl)-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carboni (5Z)-1-(2-methoxyethyl)-4-methyl…

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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) 3.75 9.45 -24.56 1 8 0 109 415.453 7 ↓

Analogs

5021821
5021821
16693760
16693760

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Popular Name: (5Z)-1-(3-methoxypropyl)-4-methyl-2,6-dioxo-5-[[4-[(E)-phenylazo]anilino]methylene]pyridine-3-carbon (5Z)-1-(3-methoxypropyl)-4-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) 4.02 9.66 -25.83 1 8 0 109 429.48 8 ↓

Parameters Provided:

ring.id = 4899
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 = 4899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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