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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: 4-(2,5-dimethylpyrrolidin-1-yl)-1H-pyrazole 4-(2,5-dimethylpyrrolidin-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) 1.41 4 -4.36 1 3 0 32 165.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethylpyrrolidin-1-yl)-1H-pyrazole 4-(2,5-dimethylpyrrolidin-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) 1.41 4.13 -4.16 1 3 0 32 165.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,5-dimethylpyrrolidin-1-yl)-1H-pyrazole 4-(2,5-dimethylpyrrolidin-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) 1.41 4.11 -4.14 1 3 0 32 165.24 1 ↓

Analogs

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Popular Name: (3S)-1-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidin-3-amine (3S)-1-[1-(2-methoxyethyl)pyrazo…

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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) -0.60 1.29 -49.55 3 5 1 58 211.289 4 ↓

Analogs

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Popular Name: (3R)-1-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidin-3-amine (3R)-1-[1-(2-methoxyethyl)pyrazo…

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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) -0.60 1.28 -49.23 3 5 1 58 211.289 4 ↓

Analogs

45654077
45654077
45654079
45654079

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Popular Name: (3R)-1-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-pyrrolidin-3-amine (3R)-1-[1-(2-methoxyethyl)pyrazo…

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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 3.08 -44.24 2 5 1 47 225.316 5 ↓

Analogs

45654077
45654077
45654079
45654079

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-pyrrolidin-3-amine (3S)-1-[1-(2-methoxyethyl)pyrazo…

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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 3.08 -43.96 2 5 1 47 225.316 5 ↓

Analogs

45654077
45654077
45654079
45654079

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidin-3-amine (3R)-N-ethyl-1-[1-(2-methoxyethy…

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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) 0.68 3.9 -42.99 2 5 1 47 239.343 6 ↓

Analogs

45654077
45654077
45654079
45654079

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-1-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidin-3-amine (3S)-N-ethyl-1-[1-(2-methoxyethy…

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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) 0.68 3.92 -42.81 2 5 1 47 239.343 6 ↓

Analogs

45654077
45654077
45654079
45654079

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-(2-methoxyethyl)pyrazol-4-yl]-N-propyl-pyrrolidin-3-amine (3R)-1-[1-(2-methoxyethyl)pyrazo…

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Activity (Go SEA)

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) 1.18 4.66 -44.01 2 5 1 47 253.37 7 ↓

Analogs

45654077
45654077
45654079
45654079

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-(2-methoxyethyl)pyrazol-4-yl]-N-propyl-pyrrolidin-3-amine (3S)-1-[1-(2-methoxyethyl)pyrazo…

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Activity (Go SEA)

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) 1.18 4.68 -43.73 2 5 1 47 253.37 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidin-3-yl]methanamine [(3R)-1-[1-(2-methoxyethyl)pyraz…

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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) -0.29 2 -50.76 3 5 1 58 225.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidin-3-yl]methanamine [(3S)-1-[1-(2-methoxyethyl)pyraz…

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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) -0.29 1.99 -50.62 3 5 1 58 225.316 5 ↓

Parameters Provided:

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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 = 76161 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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