UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-pyrazin-2-yl-pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-pyraz…

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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 1.37 -16.86 2 6 0 88 254.249 2 ↓

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-pyrazin-2-yl-pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-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) -0.17 2.15 -14.77 2 6 0 88 268.276 3 ↓

Analogs

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Popular Name: (E)-3-[5-(pyrazin-2-ylcarbamoyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(pyrazin-2-ylcarbamoyl)…

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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) -0.22 4.4 -55.81 1 7 -1 108 269.24 4 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-pyrazin-2-yl-pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-pyrazin…

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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) -1.01 2.08 -56.67 4 6 1 95 254.273 2 ↓
Mid Mid (pH 6-8) -1.01 1.67 -14.27 3 6 0 94 253.265 2 ↓

Parameters Provided:

ring.id = 3186
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 = 3186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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