UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-6-(3-methylpyrazol-1-yl)pyrazine 2-chloro-6-(3-methylpyrazol-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) 1.52 4.16 -5.62 0 4 0 44 194.625 1 ↓

Analogs

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Popular Name: 2-chloro-3-(3-methylpyrazol-1-yl)pyrazine 2-chloro-3-(3-methylpyrazol-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) 1.52 4.29 -10.49 0 4 0 44 194.625 1 ↓

Analogs

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Popular Name: 2-chloro-6-(3-isopropylpyrazol-1-yl)pyrazine 2-chloro-6-(3-isopropylpyrazol-1…

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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) 2.58 5.42 -5.11 0 4 0 44 222.679 2 ↓

Analogs

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Popular Name: 2-chloro-3-(3-isopropylpyrazol-1-yl)pyrazine 2-chloro-3-(3-isopropylpyrazol-1…

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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) 2.58 5.56 -10.09 0 4 0 44 222.679 2 ↓

Analogs

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Popular Name: 2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrazine 2-chloro-6-(3,5-dimethyl-1H-pyra…

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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 5.01 -6.05 0 4 0 44 208.652 1 ↓

Analogs

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Popular Name: 4-chloro-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine 4-chloro-1-(3,6-dimethylpyrazin-…

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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) 1.16 3.94 -7.05 2 5 0 70 223.667 1 ↓

Analogs

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Popular Name: 3-(3-amino-4-chloro-pyrazol-1-yl)pyrazine-2-carbonitrile 3-(3-amino-4-chloro-pyrazol-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) 0.71 2.83 -13.07 2 6 0 93 220.623 1 ↓

Analogs

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Popular Name: 3-(3-amino-4-chloro-pyrazol-1-yl)pyrazine-2-carboxamide 3-(3-amino-4-chloro-pyrazol-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) -0.23 -0.87 -14.33 4 7 0 113 238.638 2 ↓

Analogs

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Popular Name: 4-chloro-1-pyrazin-2-yl-pyrazol-3-amine 4-chloro-1-pyrazin-2-yl-pyrazol-…

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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) 0.71 2.53 -7.5 2 5 0 70 195.613 1 ↓

Analogs

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Popular Name: 1-(3,6-dimethylpyrazin-2-yl)-4-methyl-pyrazol-3-amine 1-(3,6-dimethylpyrazin-2-yl)-4-m…

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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) 0.93 4.12 -8.68 2 5 0 70 203.249 1 ↓

Analogs

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Popular Name: 3-(3-amino-4-methyl-pyrazol-1-yl)pyrazine-2-carbonitrile 3-(3-amino-4-methyl-pyrazol-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) 0.48 3.01 -14.53 2 6 0 93 200.205 1 ↓

Analogs

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Popular Name: 3-(3-amino-4-methyl-pyrazol-1-yl)pyrazine-2-carboxamide 3-(3-amino-4-methyl-pyrazol-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) -0.46 -0.13 -16.21 4 7 0 113 218.22 2 ↓

Analogs

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Popular Name: 4-methyl-1-pyrazin-2-yl-pyrazol-3-amine 4-methyl-1-pyrazin-2-yl-pyrazol-…

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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 2.71 -9.13 2 5 0 70 175.195 1 ↓

Analogs

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Popular Name: 2-chloro-6-(3,4,5-trimethylpyrazol-1-yl)pyrazine 2-chloro-6-(3,4,5-trimethylpyraz…

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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) 2.12 5.6 -6.3 0 4 0 44 222.679 1 ↓

Analogs

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Popular Name: 2-chloro-6-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)pyrazine 2-chloro-6-(4-ethyl-3,5-dimethyl…

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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) 2.59 6.34 -5.96 0 4 0 44 236.706 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 28569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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