UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-6-(2-methyl-1H-imidazol-1-yl)pyrazine 2-chloro-6-(2-methyl-1H-imidazol…

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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) 1.00 5.17 -7.63 0 4 0 44 194.625 1 ↓
Mid Mid (pH 6-8) 1.00 5.63 -31.02 1 4 1 45 195.633 1 ↓

Analogs

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Popular Name: [3-(2-propylimidazol-1-yl)pyrazin-2-yl]methanamine [3-(2-propylimidazol-1-yl)pyrazi…

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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) 0.70 3.08 -8.21 2 5 0 70 217.276 4 ↓
Mid Mid (pH 6-8) 0.70 3.46 -44.86 3 5 1 71 218.284 4 ↓
Lo Low (pH 4.5-6) 0.70 3.73 -98.94 4 5 2 72 219.292 4 ↓

Analogs

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

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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) 2.07 6.08 -9.52 0 4 0 44 222.679 3 ↓
Mid Mid (pH 6-8) 2.07 6.41 -29.78 1 4 1 45 223.687 3 ↓

Analogs

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Popular Name: 2-chloro-6-(2-propylimidazol-1-yl)pyrazine 2-chloro-6-(2-propylimidazol-1-y…

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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) 2.07 6.54 -7.35 0 4 0 44 222.679 3 ↓
Mid Mid (pH 6-8) 2.07 7.03 -31.05 1 4 1 45 223.687 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-propylimidazol-1-yl)pyrazine 2-(2-propylimidazol-1-yl)pyrazine

Find On: PubMed — Wikipedia — Google

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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) 1.27 6.15 -9.11 0 4 0 44 188.234 3 ↓
Mid Mid (pH 6-8) 1.27 6.63 -30.06 1 4 1 45 189.242 3 ↓

Parameters Provided:

ring.id = 130458
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 = 130458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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