UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(5-methylisoxazol-3-yl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(5-me…

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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) -0.03 2.31 -12.26 2 6 0 88 257.249 2 ↓

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(5-methylisoxazol-3-yl)pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(5-met…

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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 3.07 -10.9 2 6 0 88 271.276 3 ↓

Analogs

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Popular Name: (E)-3-[5-[(5-methylisoxazol-3-yl)carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(5-methylisoxazol-3-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) 0.19 5.34 -50.41 1 7 -1 108 272.24 4 ↓

Analogs

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

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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) -0.59 3.02 -56.02 4 6 1 96 257.273 2 ↓
Mid Mid (pH 6-8) -0.59 2.61 -10.24 3 6 0 94 256.265 2 ↓

Analogs

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Popular Name: 2-chloro-N-isoxazol-3-yl-pyridine-3-carboxamide 2-chloro-N-isoxazol-3-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) 1.17 3.13 -12.83 1 5 0 68 223.619 2 ↓

Analogs

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Popular Name: 5-bromo-N-isoxazol-3-yl-pyridine-3-carboxamide 5-bromo-N-isoxazol-3-yl-pyridine…

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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 3.29 -8.54 1 5 0 68 268.07 2 ↓

Analogs

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Popular Name: N-(5-methylisoxazol-3-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide N-(5-methylisoxazol-3-yl)-6-(2,2…

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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) 2.03 4.35 -12.44 1 6 0 77 333.241 6 ↓

Parameters Provided:

ring.id = 2644
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 = 2644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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