UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13576954
13576954

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Popular Name: (5Z)-1-ethyl-4-methyl-5-[(2-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-ethyl-4-methyl-5-[(2-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) 3.14 9.77 -20.97 1 5 0 75 331.375 3 ↓

Analogs

13576954
13576954

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Popular Name: (5Z)-4-methyl-5-[(2-naphthylamino)methylene]-2,6-dioxo-1-propyl-pyridine-3-carbonitrile (5Z)-4-methyl-5-[(2-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) 3.64 10.51 -20.94 1 5 0 75 345.402 4 ↓

Analogs

13576954
13576954

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Popular Name: (5Z)-1-butyl-4-methyl-5-[(2-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-butyl-4-methyl-5-[(2-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) 4.20 11.3 -20.8 1 5 0 75 359.429 5 ↓

Analogs

13576954
13576954
16693960
16693960

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Popular Name: (5Z)-4-methyl-5-[(2-naphthylamino)methylene]-2,6-dioxo-1-pentyl-pyridine-3-carbonitrile (5Z)-4-methyl-5-[(2-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) 4.70 12.08 -20.71 1 5 0 75 373.456 6 ↓

Analogs

13576954
13576954
16693960
16693960

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Popular Name: (5Z)-1-hexyl-4-methyl-5-[(2-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-hexyl-4-methyl-5-[(2-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) 5.21 12.86 -20.69 1 5 0 75 387.483 7 ↓

Analogs

13576954
13576954
16693960
16693960

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

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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) 3.50 10.34 -20.06 1 5 0 75 345.402 3 ↓

Analogs

13576954
13576954
16693960
16693960

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Popular Name: (5Z)-4-methyl-1-[(1R)-1-methylpropyl]-5-[(2-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitri (5Z)-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) 4.00 11.41 -19.79 1 5 0 75 359.429 4 ↓

Analogs

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Popular Name: (5Z)-4-methyl-1-[(1S)-1-methylpropyl]-5-[(2-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitri (5Z)-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) 4.00 11.41 -19.81 1 5 0 75 359.429 4 ↓

Analogs

13576954
13576954
16693960
16693960

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Popular Name: (5Z)-1-isobutyl-4-methyl-5-[(2-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-isobutyl-4-methyl-5-[(2-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) 3.88 11.05 -20.52 1 5 0 75 359.429 4 ↓

Analogs

13576954
13576954

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Popular Name: (5Z)-1-allyl-4-methyl-5-[(2-naphthylamino)methylene]-2,6-dioxo-pyridine-3-carbonitrile (5Z)-1-allyl-4-methyl-5-[(2-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) 3.41 10.32 -21.06 1 5 0 75 343.386 4 ↓

Analogs

9423002
9423002
13576954
13576954

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Popular Name: (5Z)-1-(2-methoxyethyl)-4-methyl-5-[(2-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) 2.75 9.38 -21.22 1 6 0 84 361.401 5 ↓

Analogs

13576954
13576954
16693960
16693960

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Popular Name: (5Z)-1-(3-methoxypropyl)-4-methyl-5-[(2-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) 3.02 9.6 -22.32 1 6 0 84 375.428 6 ↓

Parameters Provided:

ring.id = 5017
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 = 5017 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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