UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3152988
3152988
6302564
6302564

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Popular Name: (5Z)-5-[(2-benzoylanilino)methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2-benzoylanilino)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) 2.99 9.97 -26.94 1 6 0 92 371.396 4 ↓

Analogs

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Popular Name: (5E)-5-[(2-benzoylanilino)methylene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(2-benzoylanilino)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) 3.36 11.13 -18.37 1 6 0 92 385.423 5 ↓

Analogs

18180635
18180635
9421019
9421019

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Popular Name: (5E)-5-[(2-benzoylanilino)methylene]-4-methyl-2,6-dioxo-1-propyl-pyridine-3-carbonitrile (5E)-5-[(2-benzoylanilino)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) 3.86 11.88 -18.25 1 6 0 92 399.45 6 ↓

Analogs

18180635
18180635
9421019
9421019

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Popular Name: (5E)-5-[(2-benzoylanilino)methylene]-1-butyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(2-benzoylanilino)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) 4.42 12.66 -18.2 1 6 0 92 413.477 7 ↓

Analogs

18180635
18180635
9421019
9421019

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Popular Name: (5E)-5-[(2-benzoylanilino)methylene]-4-methyl-2,6-dioxo-1-pentyl-pyridine-3-carbonitrile (5E)-5-[(2-benzoylanilino)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) 4.93 13.44 -18.15 1 6 0 92 427.504 8 ↓

Analogs

18180635
18180635
9421019
9421019

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Popular Name: (5E)-5-[(2-benzoylanilino)methylene]-1-hexyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5E)-5-[(2-benzoylanilino)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) 5.43 14.22 -18.13 1 6 0 92 441.531 9 ↓

Analogs

18180635
18180635
9421019
9421019

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Popular Name: (5Z)-5-[(2-benzoylanilino)methylene]-1-isopropyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2-benzoylanilino)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) 3.72 11.52 -25.7 1 6 0 92 399.45 5 ↓

Analogs

18180635
18180635
9421019
9421019

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Popular Name: (5E)-5-[(2-benzoylanilino)methylene]-4-methyl-1-[(1R)-1-methylpropyl]-2,6-dioxo-pyridine-3-carbonitr (5E)-5-[(2-benzoylanilino)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) 4.23 12.78 -17.49 1 6 0 92 413.477 6 ↓

Analogs

18180635
18180635
9421019
9421019

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Popular Name: (5E)-5-[(2-benzoylanilino)methylene]-4-methyl-1-[(1S)-1-methylpropyl]-2,6-dioxo-pyridine-3-carbonitr (5E)-5-[(2-benzoylanilino)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) 4.23 12.78 -17.47 1 6 0 92 413.477 6 ↓

Analogs

18180635
18180635
9419818
9419818

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Popular Name: (5Z)-5-[(2-benzoylanilino)methylene]-1-isobutyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2-benzoylanilino)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) 4.11 12.23 -25.71 1 6 0 92 413.477 6 ↓

Analogs

18180635
18180635
9421019
9421019

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

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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) 3.63 11.5 -26.53 1 6 0 92 397.434 6 ↓

Analogs

9421019
9421019

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Popular Name: (5Z)-5-[(2-benzoylanilino)methylene]-1-(2-methoxyethyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2-benzoylanilino)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) 2.97 10.56 -27.07 1 7 0 101 415.449 7 ↓

Analogs

5021820
5021820
9421019
9421019
9302931
9302931
18180635
18180635

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Popular Name: (5Z)-5-[(2-benzoylanilino)methylene]-1-(3-methoxypropyl)-4-methyl-2,6-dioxo-pyridine-3-carbonitrile (5Z)-5-[(2-benzoylanilino)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) 3.24 10.76 -28.08 1 7 0 101 429.476 8 ↓

Parameters Provided:

ring.id = 6157
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 = 6157 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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