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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)-(4-pyridyl)methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-(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) 1.55 5.26 -48.52 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.55 4.38 -7.45 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(4-pyridyl)methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-(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) 1.55 5.31 -48.04 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.55 4.31 -7.74 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(4-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) 1.55 5.17 -49.74 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.55 4.14 -7.3 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(4-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) 1.55 5.4 -49.29 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.55 4.24 -6.93 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-(4-pyridyl)methyl]ethanamine N-[(R)-(2-propylpyrazol-3-yl)-(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) 1.93 6.02 -47.53 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.93 5.07 -7.02 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-(4-pyridyl)methyl]ethanamine N-[(S)-(2-propylpyrazol-3-yl)-(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) 1.93 6.26 -47.18 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.93 5.15 -6.61 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(4-pyridyl)methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-(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) 1.43 4.91 -47.3 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.43 4.26 -7.26 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(4-pyridyl)methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-(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) 1.43 5.42 -47.08 2 4 1 47 231.323 5 ↓
Mid Mid (pH 6-8) 1.43 4.42 -6.96 1 4 0 43 230.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-(4-pyridyl)methyl]propan-1-amine N-[(S)-(2-propylpyrazol-3-yl)-(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) 2.43 6.18 -48.15 2 4 1 47 259.377 7 ↓
Mid Mid (pH 6-8) 2.43 5.69 -7.37 1 4 0 43 258.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-(4-pyridyl)methyl]propan-1-amine N-[(R)-(2-propylpyrazol-3-yl)-(4…

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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) 2.43 7.01 -47.96 2 4 1 47 259.377 7 ↓
Mid Mid (pH 6-8) 2.43 5.93 -6.52 1 4 0 43 258.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(4-pyridyl)methyl]propan-1-amine N-[(S)-(2-ethylpyrazol-3-yl)-(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) 1.93 5.67 -48.08 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.93 4.95 -7.74 1 4 0 43 244.342 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(4-pyridyl)methyl]propan-1-amine N-[(R)-(2-ethylpyrazol-3-yl)-(4-…

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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) 1.93 6.25 -47.89 2 4 1 47 245.35 6 ↓
Mid Mid (pH 6-8) 1.93 5.17 -6.81 1 4 0 43 244.342 6 ↓

Analogs

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Popular Name: 4-[(2-ethylpyrazol-3-yl)methyl]pyridin-2-amine 4-[(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 4.74 -36.81 3 4 1 58 203.269 3 ↓
Hi High (pH 8-9.5) 1.50 4.27 -9.09 2 4 0 57 202.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-propylpyrazol-3-yl)methyl]pyridin-2-amine 4-[(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 5.49 -36.76 3 4 1 58 217.296 4 ↓
Hi High (pH 8-9.5) 2.00 5.02 -8.81 2 4 0 57 216.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine 4-[(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 3.88 -36.77 3 4 1 58 189.242 2 ↓
Hi High (pH 8-9.5) 1.12 3.4 -9.42 2 4 0 57 188.234 2 ↓

Parameters Provided:

ring.id = 343023
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 = 343023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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