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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: 2-[2-[(5R)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzoic 2-[2-[(5R)-3,5-bis(2-thienyl)-4,…

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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) 4.31 11.12 -73.39 0 6 -1 82 411.484 6 ↓

Analogs

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Popular Name: 2-[2-[(5S)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzoic 2-[2-[(5S)-3,5-bis(2-thienyl)-4,…

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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) 4.31 11.12 -73.35 0 6 -1 82 411.484 6 ↓

Analogs

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Popular Name: 4-[2-[(5R)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzoic 4-[2-[(5R)-3,5-bis(2-thienyl)-4,…

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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) 4.27 10.63 -56.64 0 6 -1 82 411.484 6 ↓

Analogs

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Popular Name: 4-[2-[(5S)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzoic 4-[2-[(5S)-3,5-bis(2-thienyl)-4,…

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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) 4.27 10.63 -56.63 0 6 -1 82 411.484 6 ↓

Analogs

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Popular Name: 3-[2-[(5R)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzoic 3-[2-[(5R)-3,5-bis(2-thienyl)-4,…

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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) 4.25 10.61 -62.48 0 6 -1 82 411.484 6 ↓

Analogs

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Popular Name: 3-[2-[(5S)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzoic 3-[2-[(5S)-3,5-bis(2-thienyl)-4,…

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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) 4.25 10.61 -62.5 0 6 -1 82 411.484 6 ↓

Analogs

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Popular Name: 4-[2-[(5R)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[(5R)-3,5-bis(2-thienyl)-4,…

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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) 3.86 10.38 -57.67 0 7 -1 91 441.51 7 ↓

Analogs

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Popular Name: 4-[2-[(5S)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[(5S)-3,5-bis(2-thienyl)-4,…

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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) 3.86 10.38 -57.68 0 7 -1 91 441.51 7 ↓

Analogs

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Popular Name: 2-[4-[2-[(5R)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(5R)-3,5-bis(2-thienyl)…

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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) 3.79 11.42 -55.39 0 6 -1 82 425.511 7 ↓

Analogs

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Popular Name: 2-[4-[2-[(5S)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(5S)-3,5-bis(2-thienyl)…

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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) 3.79 11.42 -55.83 0 6 -1 82 425.511 7 ↓

Analogs

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Popular Name: 4-[2-[(5R)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(5R)-3,5-bis(2-thienyl)-4,…

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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) 4.19 10.75 -131.4 0 8 -2 122 454.485 7 ↓

Analogs

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Popular Name: 4-[2-[(5S)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(5S)-3,5-bis(2-thienyl)-4,…

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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) 4.19 10.75 -131.41 0 8 -2 122 454.485 7 ↓

Analogs

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Popular Name: 4-[2-[(5R)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]-3,5-dichloro-benzoic 4-[2-[(5R)-3,5-bis(2-thienyl)-4,…

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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) 5.49 11.81 -49.48 0 6 -1 82 480.374 6 ↓

Analogs

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Popular Name: 4-[2-[(5S)-3,5-bis(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethoxy]-3,5-dichloro-benzoic 4-[2-[(5S)-3,5-bis(2-thienyl)-4,…

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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) 5.49 11.81 -49.55 0 6 -1 82 480.374 6 ↓

Analogs

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Popular Name: 1-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-fluoro-4-nitro-phenoxy)ethanone 1-[(3S)-3,5-bis(2-thienyl)-3,4-d…

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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 11.76 -15.16 0 7 0 88 431.47 6 ↓

Analogs

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Popular Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-fluoro-4-nitro-phenoxy)ethanone 1-[(3R)-3,5-bis(2-thienyl)-3,4-d…

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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 11.76 -15.15 0 7 0 88 431.47 6 ↓

Analogs

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Popular Name: 1-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-methyl-3-nitro-phenoxy)ethanone 1-[(3S)-3,5-bis(2-thienyl)-3,4-d…

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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 12.37 -15.3 0 7 0 88 427.507 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(2-methyl-3-nitro-phenoxy)ethanone 1-[(3R)-3,5-bis(2-thienyl)-3,4-d…

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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 12.37 -15.29 0 7 0 88 427.507 6 ↓

Parameters Provided:

ring.id = 44701
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 = 44701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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