UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-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) 1.37 3.46 -41.65 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 1.37 2.87 -7.28 1 5 0 56 231.303 5 ↓

Analogs

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Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-pyrazin-2-yl-methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-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) 1.37 3.57 -42.17 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 1.37 2.06 -8.31 1 5 0 56 231.303 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-pyrazin-2-yl-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) 1.37 2.08 -7.96 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.37 4 -48.19 2 5 1 60 232.311 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-pyrazin-2-yl-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) 1.37 2.16 -8.25 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 1.37 3.24 -45.04 2 5 1 60 232.311 5 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-pyrazin-2-yl-methyl]ethanamine N-[(S)-(2-propylpyrazol-3-yl)-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) 1.75 4.24 -40.67 2 5 1 60 246.338 6 ↓
Mid Mid (pH 6-8) 1.75 2.75 -7.31 1 5 0 56 245.33 6 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-pyrazin-2-yl-methyl]ethanamine N-[(R)-(2-propylpyrazol-3-yl)-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) 1.75 4.57 -41.21 2 5 1 60 246.338 6 ↓
Mid Mid (pH 6-8) 1.75 2.96 -7.43 1 5 0 56 245.33 6 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-pyrazin-2-yl-methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-pyr…

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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 3.56 -40.79 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 1.25 2.09 -8.27 1 5 0 56 231.303 5 ↓

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-pyrazin-2-yl-methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-pyr…

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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 4.43 -39.86 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 1.25 2.23 -7.48 1 5 0 56 231.303 5 ↓

Analogs

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Popular Name: N-[(S)-(2-propylpyrazol-3-yl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(2-propylpyrazol-3-yl)-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) 2.25 5.32 -41.68 2 5 1 60 260.365 7 ↓
Mid Mid (pH 6-8) 2.25 4.14 -6.62 1 5 0 56 259.357 7 ↓

Analogs

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Popular Name: N-[(R)-(2-propylpyrazol-3-yl)-pyrazin-2-yl-methyl]propan-1-amine N-[(R)-(2-propylpyrazol-3-yl)-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) 2.25 5.92 -40.11 2 5 1 60 260.365 7 ↓
Mid Mid (pH 6-8) 2.25 3.6 -6.85 1 5 0 56 259.357 7 ↓

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-pyrazin-2-yl-methyl]propan-1-amine N-[(S)-(2-ethylpyrazol-3-yl)-pyr…

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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) 1.75 4.57 -41.78 2 5 1 60 246.338 6 ↓
Mid Mid (pH 6-8) 1.75 3.39 -6.85 1 5 0 56 245.33 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.75 5.18 -40.25 2 5 1 60 246.338 6 ↓
Mid Mid (pH 6-8) 1.75 2.84 -7.2 1 5 0 56 245.33 6 ↓

Parameters Provided:

ring.id = 343072
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 = 343072 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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