UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(pyrazin-2-yl)pyridine-2-carboxylic acid 5-(pyrazin-2-yl)pyridine-2-carbo…

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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) 0.48 3.29 -51.7 0 5 -1 79 200.177 2 ↓

Analogs

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Popular Name: 5-(pyrazin-2-yl)pyridin-2-amine 5-(pyrazin-2-yl)pyridin-2-amine

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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) 0.66 1.46 -7.53 2 4 0 65 172.191 1 ↓
Mid Mid (pH 6-8) 0.66 1.94 -35.6 3 4 1 66 173.199 1 ↓

Analogs

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Popular Name: 3-pyrazin-2-ylpyridin-4-amine 3-pyrazin-2-ylpyridin-4-amine

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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) 0.24 1.43 -34.6 3 4 1 66 173.199 1 ↓
Hi High (pH 8-9.5) 0.24 0.96 -6.96 2 4 0 65 172.191 1 ↓

Analogs

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Popular Name: 3-pyrazin-2-ylpyridin-2-amine 3-pyrazin-2-ylpyridin-2-amine

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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) 0.44 1.91 -7.37 2 4 0 65 172.191 1 ↓
Mid Mid (pH 6-8) 0.44 2.38 -32.97 3 4 1 66 173.199 1 ↓

Analogs

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Popular Name: 4-methyl-3-pyrazin-2-yl-pyridin-2-amine 4-methyl-3-pyrazin-2-yl-pyridin-…

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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) 0.82 2.71 -32.3 3 4 1 66 187.226 1 ↓
Mid Mid (pH 6-8) 0.82 2.24 -7.52 2 4 0 65 186.218 1 ↓

Analogs

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Popular Name: 5-methyl-3-pyrazin-2-yl-pyridin-2-amine 5-methyl-3-pyrazin-2-yl-pyridin-…

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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) 0.87 2.55 -7.12 2 4 0 65 186.218 1 ↓
Mid Mid (pH 6-8) 0.87 3.01 -31.27 3 4 1 66 187.226 1 ↓

Analogs

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Popular Name: 5-chloro-3-pyrazin-2-yl-pyridin-2-amine 5-chloro-3-pyrazin-2-yl-pyridin-…

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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) 1.26 2.4 -5.92 2 4 0 65 206.636 1 ↓

Parameters Provided:

ring.id = 264356
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 = 264356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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