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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-(1-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) 4.01 12.45 -131.31 0 6 -2 101 411.413 5 ↓
Mid Mid (pH 6-8) 4.01 10.38 -78.53 1 6 -1 98 412.421 4 ↓
Mid Mid (pH 6-8) 3.43 11.5 -71.49 0 6 -1 95 412.421 5 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(1-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) 4.01 12.51 -131.18 0 6 -2 101 411.413 5 ↓
Mid Mid (pH 6-8) 4.01 10.45 -78.79 1 6 -1 98 412.421 4 ↓
Mid Mid (pH 6-8) 3.43 11.51 -71.74 0 6 -1 95 412.421 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(1-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) 4.64 13.09 -111.73 0 6 -2 101 445.858 5 ↓
Mid Mid (pH 6-8) 4.06 12.15 -54.33 0 6 -1 95 446.866 5 ↓
Mid Mid (pH 6-8) 4.64 10.59 -62.26 1 6 -1 98 446.866 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(1-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) 4.64 13.17 -112.6 0 6 -2 101 445.858 5 ↓
Mid Mid (pH 6-8) 4.06 12.17 -54.5 0 6 -1 95 446.866 5 ↓
Mid Mid (pH 6-8) 4.64 10.59 -62.07 1 6 -1 98 446.866 4 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(1-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) 4.41 13.35 -117.38 0 6 -2 101 425.44 5 ↓
Mid Mid (pH 6-8) 3.83 12.35 -58.7 0 6 -1 95 426.448 5 ↓
Mid Mid (pH 6-8) 4.41 10.78 -67.31 1 6 -1 98 426.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(1-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) 4.41 13.15 -117.11 0 6 -2 101 425.44 5 ↓
Mid Mid (pH 6-8) 3.83 12.44 -63.25 0 6 -1 95 426.448 5 ↓
Mid Mid (pH 6-8) 4.41 10.86 -71.24 1 6 -1 98 426.448 4 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(1-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) 3.55 13.23 -111.52 0 6 -2 101 425.44 6 ↓
Mid Mid (pH 6-8) 2.97 12.32 -58.74 0 6 -1 95 426.448 6 ↓
Mid Mid (pH 6-8) 3.55 11.22 -63.93 1 6 -1 98 426.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(1-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) 3.55 13.28 -112.19 0 6 -2 101 425.44 6 ↓
Mid Mid (pH 6-8) 2.97 12.34 -57.6 0 6 -1 95 426.448 6 ↓
Mid Mid (pH 6-8) 3.55 11.25 -62.59 1 6 -1 98 426.448 5 ↓

Parameters Provided:

ring.id = 129199
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 = 129199 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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