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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-cyclopropyl-2-(4-nitropyrazol-1-yl)ethanone 1-cyclopropyl-2-(4-nitropyrazol-…

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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) 0.31 5.58 -15.63 0 6 0 81 195.178 4 ↓

Analogs

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Popular Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-1-cyclopropyl-ethanone 2-(4-bromo-3-nitro-pyrazol-1-yl)…

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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) 1.25 7.07 -19.44 0 6 0 81 274.074 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)ethanone 1-cyclopropyl-2-(3,5-dimethylpyr…

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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) 0.87 5.85 -12.31 0 3 0 35 178.235 3 ↓
Lo Low (pH 4.5-6) 0.87 5.99 -30.29 1 3 1 36 179.243 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-pyrazol-1-yl-ethanone 1-cyclopropyl-2-pyrazol-1-yl-eth…

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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) 0.43 4.83 -12.97 0 3 0 35 150.181 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-methylpyrazol-1-yl)ethanone 1-cyclopropyl-2-(4-methylpyrazol…

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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) 0.80 5.5 -12.73 0 3 0 35 164.208 3 ↓

Analogs

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Popular Name: 2-(4-chloropyrazol-1-yl)-1-cyclopropyl-ethanone 2-(4-chloropyrazol-1-yl)-1-cyclo…

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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) 1.03 5.34 -12.09 0 3 0 35 184.626 3 ↓

Analogs

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Popular Name: 2-(4-bromopyrazol-1-yl)-1-cyclopropyl-ethanone 2-(4-bromopyrazol-1-yl)-1-cyclop…

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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) 1.16 5.44 -12.01 0 3 0 35 229.077 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone 1-cyclopropyl-2-(3,4,5-trimethyl…

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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) 1.25 6.47 -12.31 0 3 0 35 192.262 3 ↓
Lo Low (pH 4.5-6) 1.25 6.58 -29.85 1 3 1 36 193.27 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)ethanone 1-cyclopropyl-2-(4-ethyl-3,5-dim…

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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) 1.71 7.21 -12 0 3 0 35 206.289 4 ↓
Lo Low (pH 4.5-6) 1.71 7.32 -29.79 1 3 1 36 207.297 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone 1-cyclopropyl-2-[3-(trifluoromet…

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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) 1.56 5.78 -15.23 0 3 0 35 218.178 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-(3-nitropyrazol-1-yl)ethanone 1-cyclopropyl-2-(3-nitropyrazol-…

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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) 0.51 6.54 -20.69 0 6 0 81 195.178 4 ↓

Analogs

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Popular Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-1-cyclopropyl-ethanone 2-(4-chloro-3,5-dimethyl-pyrazol…

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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) 1.48 6.34 -11.68 0 3 0 35 212.68 3 ↓

Analogs

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Popular Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-cyclopropyl-ethanone 2-(4-bromo-3,5-dimethyl-pyrazol-…

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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) 1.61 6.43 -11.61 0 3 0 35 257.131 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-3-nitro-pyrazol-1-yl)-1-cyclopropyl-ethanone 2-(4-chloro-3-nitro-pyrazol-1-yl…

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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) 1.12 6.99 -19.69 0 6 0 81 229.623 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-(4-methyl-3-nitro-pyrazol-1-yl)ethanone 1-cyclopropyl-2-(4-methyl-3-nitr…

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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) 0.89 7.11 -20.81 0 6 0 81 209.205 4 ↓

Parameters Provided:

ring.id = 242948
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 = 242948 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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