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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2S)-3-(cyclopropanecarbonyl)…

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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) 4.04 12.85 -133.01 0 6 -2 101 411.413 5 ↓
Mid Mid (pH 6-8) 3.45 11.87 -78.5 0 6 -1 95 412.421 5 ↓
Mid Mid (pH 6-8) 4.04 10.55 -86.47 1 6 -1 98 412.421 4 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 4.04 12.92 -138.67 0 6 -2 101 411.413 5 ↓
Mid Mid (pH 6-8) 3.45 11.9 -80.06 0 6 -1 95 412.421 5 ↓
Mid Mid (pH 6-8) 4.04 10.56 -86.65 1 6 -1 98 412.421 4 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2S)-3-(cyclopropanecarbonyl)…

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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) 4.07 12.14 -135.79 0 7 -2 110 441.439 6 ↓
Mid Mid (pH 6-8) 3.49 10.63 -66.12 0 7 -1 104 442.447 6 ↓
Mid Mid (pH 6-8) 4.07 10.66 -84.59 1 7 -1 107 442.447 5 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 4.07 12.21 -135.6 0 7 -2 110 441.439 6 ↓
Mid Mid (pH 6-8) 3.49 11.19 -84.33 0 7 -1 104 442.447 6 ↓
Mid Mid (pH 6-8) 4.07 9.86 -90.65 1 7 -1 107 442.447 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]benzoic 4-chloro-3-[(2S)-3-(cyclopropane…

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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) 4.67 13.58 -110.9 0 6 -2 101 445.858 5 ↓
Mid Mid (pH 6-8) 4.08 12.9 -61.37 0 6 -1 95 446.866 5 ↓
Mid Mid (pH 6-8) 4.67 11.57 -68.67 1 6 -1 98 446.866 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]benzoic 4-chloro-3-[(2R)-3-(cyclopropane…

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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) 4.67 13.93 -120.87 0 6 -2 101 445.858 5 ↓
Mid Mid (pH 6-8) 4.08 12.92 -62.02 0 6 -1 95 446.866 5 ↓
Mid Mid (pH 6-8) 4.67 11.79 -68.79 1 6 -1 98 446.866 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]be 4-chloro-3-[(2S)-3-(cyclopropane…

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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 12.87 -111.31 0 7 -2 110 475.884 6 ↓
Mid Mid (pH 6-8) 4.12 12.2 -65.46 0 7 -1 104 476.892 6 ↓
Mid Mid (pH 6-8) 4.70 10.87 -72.78 1 7 -1 107 476.892 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]be 4-chloro-3-[(2R)-3-(cyclopropane…

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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 13.22 -118.25 0 7 -2 110 475.884 6 ↓
Mid Mid (pH 6-8) 4.12 12.22 -66.41 0 7 -1 104 476.892 6 ↓
Mid Mid (pH 6-8) 4.70 11.08 -73.17 1 7 -1 107 476.892 5 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-benzoic 3-[(2S)-3-(cyclopropanecarbonyl)…

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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) 4.44 14.17 -124.25 0 6 -2 101 425.44 5 ↓
Mid Mid (pH 6-8) 3.85 13.08 -73.13 0 6 -1 95 426.448 5 ↓
Mid Mid (pH 6-8) 4.44 11.76 -78.44 1 6 -1 98 426.448 4 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-benzoic 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 4.44 14.25 -126.08 0 6 -2 101 425.44 5 ↓
Mid Mid (pH 6-8) 3.85 13.17 -72.73 0 6 -1 95 426.448 5 ↓
Mid Mid (pH 6-8) 4.44 12.01 -77.48 1 6 -1 98 426.448 4 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-b 3-[(2S)-3-(cyclopropanecarbonyl)…

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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) 4.47 13.46 -127.82 0 7 -2 110 455.466 6 ↓
Mid Mid (pH 6-8) 3.89 12.38 -75.67 0 7 -1 104 456.474 6 ↓
Mid Mid (pH 6-8) 4.47 11.08 -82.98 1 7 -1 107 456.474 5 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-b 3-[(2R)-3-(cyclopropanecarbonyl)…

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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) 4.47 13.55 -129.58 0 7 -2 110 455.466 6 ↓
Mid Mid (pH 6-8) 4.47 11.31 -81.72 1 7 -1 107 456.474 5 ↓
Mid Mid (pH 6-8) 3.89 12.47 -75.08 0 7 -1 104 456.474 6 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetic 2-[4-[(2S)-3-(cyclopropanecarbon…

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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) 3.58 13.62 -111.31 0 6 -2 101 425.44 6 ↓
Mid Mid (pH 6-8) 2.99 12.68 -64 0 6 -1 95 426.448 6 ↓
Mid Mid (pH 6-8) 3.58 11.38 -70.36 1 6 -1 98 426.448 5 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(2-naphthyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetic 2-[4-[(2R)-3-(cyclopropanecarbon…

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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) 3.58 13.69 -117.52 0 6 -2 101 425.44 6 ↓
Mid Mid (pH 6-8) 2.99 12.78 -63.93 0 6 -1 95 426.448 6 ↓
Mid Mid (pH 6-8) 3.58 11.5 -69.33 1 6 -1 98 426.448 5 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]phenyl]a 2-[4-[(2S)-3-(cyclopropanecarbon…

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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) 3.61 12.92 -113.02 0 7 -2 110 455.466 7 ↓
Mid Mid (pH 6-8) 3.03 11.97 -68.16 0 7 -1 104 456.474 7 ↓
Mid Mid (pH 6-8) 3.61 10.67 -74.39 1 7 -1 107 456.474 6 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(6-methoxy-2-naphthyl)-5-oxo-2H-pyrrol-1-yl]phenyl]a 2-[4-[(2R)-3-(cyclopropanecarbon…

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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) 3.61 12.99 -115.24 0 7 -2 110 455.466 7 ↓
Mid Mid (pH 6-8) 3.03 12.11 -65.16 0 7 -1 104 456.474 7 ↓
Mid Mid (pH 6-8) 3.61 10.97 -69.83 1 7 -1 107 456.474 6 ↓

Parameters Provided:

ring.id = 129293
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 = 129293 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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