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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-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]benzoic 3-[(5R)-4-(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) 2.44 9.5 -130.71 0 6 -2 101 367.382 5 ↓
Mid Mid (pH 6-8) 1.86 8.48 -76.77 0 6 -1 95 368.39 5 ↓
Mid Mid (pH 6-8) 2.44 7.17 -84.72 1 6 -1 98 368.39 4 ↓

Analogs

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Popular Name: 3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]benzoic 3-[(5S)-4-(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) 2.44 9.52 -130.66 0 6 -2 101 367.382 5 ↓
Mid Mid (pH 6-8) 1.86 8.56 -77.87 0 6 -1 95 368.39 5 ↓
Mid Mid (pH 6-8) 2.44 7.41 -84.3 1 6 -1 98 368.39 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]benzoic 4-chloro-3-[(5R)-4-(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) 3.07 10.57 -112.37 0 6 -2 101 401.827 5 ↓
Mid Mid (pH 6-8) 2.49 9.37 -54.29 0 6 -1 95 402.835 5 ↓
Mid Mid (pH 6-8) 3.07 7.9 -60.73 1 6 -1 98 402.835 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]benzoic 4-chloro-3-[(5S)-4-(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) 3.07 10.63 -113.62 0 6 -2 101 401.827 5 ↓
Mid Mid (pH 6-8) 2.49 9.65 -60.02 0 6 -1 95 402.835 5 ↓
Mid Mid (pH 6-8) 3.07 8.35 -65.95 1 6 -1 98 402.835 4 ↓

Analogs

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Popular Name: 3-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]-4-methyl-benzoic 3-[(5R)-4-(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) 2.84 10.79 -119.06 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.84 8.62 -72.92 1 6 -1 98 382.417 4 ↓
Mid Mid (pH 6-8) 2.26 9.81 -67.85 0 6 -1 95 382.417 5 ↓

Analogs

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Popular Name: 3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]-4-methyl-benzoic 3-[(5S)-4-(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) 2.84 10.93 -121.1 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.84 8.61 -73.54 1 6 -1 98 382.417 4 ↓
Mid Mid (pH 6-8) 2.26 9.77 -68.57 0 6 -1 95 382.417 5 ↓

Analogs

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Popular Name: 2-[4-[(5R)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]phenyl]acetic 2-[4-[(5R)-4-(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) 1.98 10.27 -110.33 0 6 -2 101 381.409 6 ↓
Mid Mid (pH 6-8) 1.40 9.33 -61.8 0 6 -1 95 382.417 6 ↓
Mid Mid (pH 6-8) 1.98 7.99 -68.07 1 6 -1 98 382.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(3-thienyl)-5H-pyrrol-1-yl]phenyl]acetic 2-[4-[(5S)-4-(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) 1.98 10.31 -109.56 0 6 -2 101 381.409 6 ↓
Mid Mid (pH 6-8) 1.40 9.37 -60.93 0 6 -1 95 382.417 6 ↓
Mid Mid (pH 6-8) 1.98 8.21 -65.82 1 6 -1 98 382.417 5 ↓

Parameters Provided:

ring.id = 129259
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 = 129259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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