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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-[2-(3-thienyl)ethyl]pyrazole-4-carboxylic 1-[2-(3-thienyl)ethyl]pyrazole-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) 1.28 6.47 -47.62 0 4 -1 58 221.261 4 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[2-(3-thienyl)ethyl]pyrazole-4-carbaldehyde 3,5-dimethyl-1-[2-(3-thienyl)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) 1.94 6.65 -11.63 0 3 0 35 234.324 4 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-[2-(3-thienyl)ethyl]pyrazol-4-yl]methanol [3,5-dimethyl-1-[2-(3-thienyl)et…

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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) 1.49 4.1 -9.26 1 3 0 38 236.34 4 ↓
Lo Low (pH 4.5-6) 1.49 4.23 -29.28 2 3 1 39 237.348 4 ↓

Analogs

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Popular Name: 4-(chloromethyl)-3,5-dimethyl-1-[2-(3-thienyl)ethyl]pyrazole 4-(chloromethyl)-3,5-dimethyl-1-…

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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) 2.73 8.06 -7.3 0 2 0 18 254.786 4 ↓

Analogs

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Popular Name: 4-bromo-1-[2-(3-thienyl)ethyl]pyrazole 4-bromo-1-[2-(3-thienyl)ethyl]py…

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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) 2.52 6.46 -5.01 0 2 0 18 257.156 3 ↓

Analogs

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Popular Name: 4-bromo-3-nitro-1-[2-(3-thienyl)ethyl]pyrazole 4-bromo-3-nitro-1-[2-(3-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) 2.60 8.1 -10.46 0 5 0 64 302.153 4 ↓

Analogs

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Popular Name: 4-chloro-3-nitro-1-[2-(3-thienyl)ethyl]pyrazole 4-chloro-3-nitro-1-[2-(3-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) 2.47 8.01 -10.7 0 5 0 64 257.702 4 ↓

Analogs

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Popular Name: 1-[2-(3-thienyl)ethyl]pyrazol-4-amine 1-[2-(3-thienyl)ethyl]pyrazol-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) 1.19 3.71 -5.69 2 3 0 44 193.275 3 ↓

Analogs

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Popular Name: [1-[2-(3-thienyl)ethyl]pyrazol-4-yl]methanamine [1-[2-(3-thienyl)ethyl]pyrazol-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) 0.89 3.9 -46.69 3 3 1 45 208.31 4 ↓
Hi High (pH 8-9.5) 0.89 3.5 -5.56 2 3 0 44 207.302 4 ↓

Analogs

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Popular Name: 1-[2-(3-thienyl)ethyl]pyrazole 1-[2-(3-thienyl)ethyl]pyrazole

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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) 1.78 5.84 -6.01 0 2 0 18 178.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-[2-(3-thienyl)ethyl]pyrazole 3,5-dimethyl-1-[2-(3-thienyl)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) 2.22 6.9 -6.97 0 2 0 18 206.314 3 ↓
Lo Low (pH 4.5-6) 2.22 7.03 -28.03 1 2 1 19 207.322 3 ↓

Analogs

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Popular Name: 1-[2-(3-thienyl)ethyl]pyrazol-3-amine 1-[2-(3-thienyl)ethyl]pyrazol-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) 1.39 4.72 -7.14 2 3 0 44 193.275 3 ↓

Analogs

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Popular Name: 4-bromo-1-[2-(3-thienyl)ethyl]pyrazol-3-amine 4-bromo-1-[2-(3-thienyl)ethyl]py…

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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) 2.12 5.34 -5.97 2 3 0 44 272.171 3 ↓

Analogs

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Popular Name: 4-chloro-1-[2-(3-thienyl)ethyl]pyrazol-3-amine 4-chloro-1-[2-(3-thienyl)ethyl]p…

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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) 1.99 5.23 -6.02 2 3 0 44 227.72 3 ↓

Analogs

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Popular Name: 4-methyl-1-[2-(3-thienyl)ethyl]pyrazol-3-amine 4-methyl-1-[2-(3-thienyl)ethyl]p…

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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) 1.76 5.41 -7.04 2 3 0 44 207.302 3 ↓
Lo Low (pH 4.5-6) 1.76 5.56 -29.56 3 3 1 45 208.31 3 ↓

Parameters Provided:

ring.id = 446668
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 = 446668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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