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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: N-[(S)-(2-methylpyrazol-3-yl)-(3-pyridyl)methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-(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) 1.60 5.2 -46.91 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.60 4.36 -7.87 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(3-pyridyl)methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-(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) 1.60 5.26 -45.91 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.60 4.29 -7.96 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(3-pyridyl)methanamine (1R)-N-methyl-1-(2-propylpyrazol…

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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) 1.60 5.15 -47.29 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.60 4.12 -7.78 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(3-pyridyl)methanamine (1S)-N-methyl-1-(2-propylpyrazol…

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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) 1.60 5.37 -47.25 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.60 4.22 -7.43 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-(3-pyridyl)methyl]ethanamine N-[(R)-(2-propylpyrazol-3-yl)-(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) 1.98 5.97 -45.09 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.98 5.03 -7.53 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-(3-pyridyl)methyl]ethanamine N-[(S)-(2-propylpyrazol-3-yl)-(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) 1.98 6.2 -45.31 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.98 5.13 -7.21 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(3-pyridyl)methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-(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) 1.48 4.88 -45.94 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.48 4.23 -7.85 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(3-pyridyl)methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-(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) 1.48 5.37 -45.05 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.48 4.39 -7.55 1 4 0 43 230.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-(3-pyridyl)methyl]propan-1-amine N-[(S)-(2-propylpyrazol-3-yl)-(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) 2.48 6.22 -46.77 2 4 1 47 259.377 7 ↓
Mid Mid (pH 6-8) 2.48 5.66 -7.6 1 4 0 43 258.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-(3-pyridyl)methyl]propan-1-amine N-[(R)-(2-propylpyrazol-3-yl)-(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) 2.48 6.96 -45.95 2 4 1 47 259.377 7 ↓
Mid Mid (pH 6-8) 2.48 5.89 -7.12 1 4 0 43 258.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(3-pyridyl)methyl]propan-1-amine N-[(S)-(2-ethylpyrazol-3-yl)-(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) 1.98 5.64 -46.7 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.98 4.91 -7.94 1 4 0 43 244.342 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(3-pyridyl)methyl]propan-1-amine N-[(R)-(2-ethylpyrazol-3-yl)-(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) 1.98 6.19 -45.96 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.98 5.14 -7.37 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: 3-[(2-ethylpyrazol-3-yl)methyl]pyridin-4-amine 3-[(2-ethylpyrazol-3-yl)methyl]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) 1.14 3.95 -38.13 3 4 1 58 203.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-propylpyrazol-3-yl)methyl]pyridin-4-amine 3-[(2-propylpyrazol-3-yl)methyl]…

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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) 1.64 4.71 -38.19 3 4 1 58 217.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine 3-[(2-methylpyrazol-3-yl)methyl]…

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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) 0.76 3.16 -37.79 3 4 1 58 189.242 2 ↓

Analogs

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Popular Name: 3-[(2-ethylpyrazol-3-yl)methyl]pyridin-2-amine 3-[(2-ethylpyrazol-3-yl)methyl]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) 1.50 4.87 -36.87 3 4 1 58 203.269 3 ↓
Mid Mid (pH 6-8) 1.50 4.41 -8.93 2 4 0 57 202.261 3 ↓

Analogs

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Popular Name: 3-[(2-propylpyrazol-3-yl)methyl]pyridin-2-amine 3-[(2-propylpyrazol-3-yl)methyl]…

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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) 2.00 5.63 -36.82 3 4 1 58 217.296 4 ↓
Mid Mid (pH 6-8) 2.00 5.16 -8.64 2 4 0 57 216.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine 3-[(2-methylpyrazol-3-yl)methyl]…

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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 4.07 -36.58 3 4 1 58 189.242 2 ↓
Mid Mid (pH 6-8) 1.12 3.6 -9.32 2 4 0 57 188.234 2 ↓

Parameters Provided:

ring.id = 343019
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 = 343019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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