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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-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrrol-1-yl]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) 2.53 8.53 -126.44 0 9 -2 128 435.388 6 ↓
Mid Mid (pH 6-8) 1.95 7.61 -78.02 0 9 -1 122 436.396 6 ↓
Mid Mid (pH 6-8) 2.53 6.32 -84.52 1 9 -1 125 436.396 5 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrrol-1-yl]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) 2.53 8.58 -126.51 0 9 -2 128 435.388 6 ↓
Mid Mid (pH 6-8) 1.95 7.58 -78.48 0 9 -1 122 436.396 6 ↓
Mid Mid (pH 6-8) 2.53 6.26 -84.61 1 9 -1 125 436.396 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]be 3-[(2S)-2-(7-chloro-1,3-benzodio…

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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) 3.35 9.76 -128.37 0 8 -2 119 439.807 5 ↓
Mid Mid (pH 6-8) 2.77 8.79 -80.42 0 8 -1 113 440.815 5 ↓
Mid Mid (pH 6-8) 3.35 7.46 -87.04 1 8 -1 116 440.815 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]be 3-[(2R)-2-(7-chloro-1,3-benzodio…

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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) 3.35 9.89 -128.16 0 8 -2 119 439.807 5 ↓
Mid Mid (pH 6-8) 2.77 8.92 -80.63 0 8 -1 113 440.815 5 ↓
Mid Mid (pH 6-8) 3.35 7.76 -86.66 1 8 -1 116 440.815 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrr 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) 3.16 9.27 -109.09 0 9 -2 128 469.833 6 ↓
Mid Mid (pH 6-8) 2.58 8.28 -54.54 0 9 -1 122 470.841 6 ↓
Mid Mid (pH 6-8) 3.16 6.77 -60.61 1 9 -1 125 470.841 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrr 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) 3.16 9.6 -119.84 0 9 -2 128 469.833 6 ↓
Mid Mid (pH 6-8) 2.58 8.54 -62.01 0 9 -1 122 470.841 6 ↓
Mid Mid (pH 6-8) 3.16 7.39 -68.57 1 9 -1 125 470.841 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrro 4-chloro-3-[(2S)-2-(7-chloro-1,3…

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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 10.79 -113.14 0 8 -2 119 474.252 5 ↓
Mid Mid (pH 6-8) 3.40 9.82 -64.67 0 8 -1 113 475.26 5 ↓
Mid Mid (pH 6-8) 3.98 8.47 -70.46 1 8 -1 116 475.26 4 ↓

Analogs

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Popular Name: 4-chloro-3-[(2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrro 4-chloro-3-[(2R)-2-(7-chloro-1,3…

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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 10.87 -112.43 0 8 -2 119 474.252 5 ↓
Mid Mid (pH 6-8) 3.40 9.84 -63.06 0 8 -1 113 475.26 5 ↓
Mid Mid (pH 6-8) 3.98 8.69 -69.87 1 8 -1 116 475.26 4 ↓

Analogs

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Popular Name: 3-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrrol-1-yl]- 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) 2.93 9.8 -118.47 0 9 -2 128 449.415 6 ↓
Mid Mid (pH 6-8) 2.35 8.55 -60.38 0 9 -1 122 450.423 6 ↓
Mid Mid (pH 6-8) 2.93 7.06 -66.81 1 9 -1 125 450.423 5 ↓

Analogs

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Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrrol-1-yl]- 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) 2.93 9.6 -111.19 0 9 -2 128 449.415 6 ↓
Mid Mid (pH 6-8) 2.35 8.77 -70.57 0 9 -1 122 450.423 6 ↓
Mid Mid (pH 6-8) 2.93 7.64 -77.1 1 9 -1 125 450.423 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4 3-[(2S)-2-(7-chloro-1,3-benzodio…

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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) 3.75 11.09 -119.35 0 8 -2 119 453.834 5 ↓
Mid Mid (pH 6-8) 3.17 10.1 -71.11 0 8 -1 113 454.842 5 ↓
Mid Mid (pH 6-8) 3.75 8.82 -78.2 1 8 -1 116 454.842 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-4 3-[(2R)-2-(7-chloro-1,3-benzodio…

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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) 3.75 11.15 -120.33 0 8 -2 119 453.834 5 ↓
Mid Mid (pH 6-8) 3.17 10.09 -74.66 0 8 -1 113 454.842 5 ↓
Mid Mid (pH 6-8) 3.75 8.78 -79.36 1 8 -1 116 454.842 4 ↓

Analogs

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Popular Name: 2-[4-[(2S)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrrol-1-y 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) 2.07 9.31 -107.04 0 9 -2 128 449.415 7 ↓
Mid Mid (pH 6-8) 1.49 8.38 -63.85 0 9 -1 122 450.423 7 ↓
Mid Mid (pH 6-8) 2.07 7.06 -69.76 1 9 -1 125 450.423 6 ↓

Analogs

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Popular Name: 2-[4-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-2H-pyrrol-1-y 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) 2.07 9.36 -108.43 0 9 -2 128 449.415 7 ↓
Mid Mid (pH 6-8) 2.07 7.13 -67.95 1 9 -1 125 450.423 6 ↓
Mid Mid (pH 6-8) 1.49 8.44 -63.15 0 9 -1 122 450.423 7 ↓

Analogs

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Popular Name: 2-[4-[(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl 2-[4-[(2S)-2-(7-chloro-1,3-benzo…

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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) 2.89 10.55 -109.98 0 8 -2 119 453.834 6 ↓
Mid Mid (pH 6-8) 2.89 8.25 -72.26 1 8 -1 116 454.842 5 ↓
Mid Mid (pH 6-8) 2.31 9.59 -67.4 0 8 -1 113 454.842 6 ↓

Analogs

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Popular Name: 2-[4-[(2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl 2-[4-[(2R)-2-(7-chloro-1,3-benzo…

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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) 2.89 10.66 -107.02 0 8 -2 119 453.834 6 ↓
Mid Mid (pH 6-8) 2.31 9.72 -63.07 0 8 -1 113 454.842 6 ↓
Mid Mid (pH 6-8) 2.89 8.58 -67.44 1 8 -1 116 454.842 5 ↓

Parameters Provided:

ring.id = 129323
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 = 129323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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