UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16693960
16693960

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

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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) 3.11 10.01 -17.38 1 5 0 75 331.375 3 ↓

Analogs

16693960
16693960

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Popular Name: (5E)-4-methyl-5-[(1-naphthylamino)methylene]-2,6-dioxo-1-propyl-pyridine-3-carbonitrile (5E)-4-methyl-5-[(1-naphthylamin…

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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) 3.62 10.76 -17.31 1 5 0 75 345.402 4 ↓

Analogs

16693960
16693960

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

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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) 4.18 11.54 -17.26 1 5 0 75 359.429 5 ↓

Analogs

16693960
16693960
16693962
16693962

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

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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) 4.68 12.32 -17.18 1 5 0 75 373.456 6 ↓

Analogs

16693960
16693960
16693962
16693962

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

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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) 5.19 13.1 -17.16 1 5 0 75 387.483 7 ↓

Analogs

16693960
16693960
16693962
16693962

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

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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) 3.48 10.45 -20.16 1 5 0 75 345.402 3 ↓

Analogs

16693960
16693960
16693962
16693962

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Popular Name: (5E)-4-methyl-1-[(1R)-1-methylpropyl]-5-[(1-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitri (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) 3.98 11.66 -16.4 1 5 0 75 359.429 4 ↓

Analogs

16693960
16693960
16693962
16693962

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Popular Name: (5E)-4-methyl-1-[(1S)-1-methylpropyl]-5-[(1-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitri (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) 3.98 11.66 -16.43 1 5 0 75 359.429 4 ↓

Analogs

16693960
16693960
16693962
16693962

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Popular Name: (5Z)-1-isobutyl-4-methyl-5-[(1-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-isobutyl-4-methyl-5-[(1-n…

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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 11.16 -20.43 1 5 0 75 359.429 4 ↓

Analogs

16693960
16693960

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

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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) 3.38 10.43 -21.15 1 5 0 75 343.386 4 ↓

Analogs

8991056
8991056
16693960
16693960

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Popular Name: (5Z)-1-(2-methoxyethyl)-4-methyl-5-[(1-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (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) 2.72 9.48 -21.29 1 6 0 84 361.401 5 ↓

Analogs

16693960
16693960
16693962
16693962

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Popular Name: (5Z)-1-(3-methoxypropyl)-4-methyl-5-[(1-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (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) 2.99 9.7 -22.28 1 6 0 84 375.428 6 ↓

Parameters Provided:

ring.id = 5075
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 = 5075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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