UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitro-pyridin-2-one 1-[(3-tert-butyl-1,2,4-oxadiazol…

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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) 1.96 5.13 -12.32 0 8 0 107 278.268 4 ↓

Analogs

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Popular Name: 6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxo-pyridine-3-carboxylic 6-methyl-1-[(3-methyl-1,2,4-oxad…

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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) -0.32 4.51 -70.08 0 7 -1 101 248.218 3 ↓

Analogs

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Popular Name: 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 1-[(3-ethyl-1,2,4-oxadiazol-5-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) 0.26 5.15 -70.82 0 7 -1 101 262.245 4 ↓

Analogs

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Popular Name: 6-methyl-2-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxylic 6-methyl-2-oxo-1-[(3-propyl-1,2,…

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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) 0.76 5.92 -70.81 0 7 -1 101 276.272 5 ↓

Analogs

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Popular Name: 1-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-2-oxo-pyridine-3-carboxylic 1-[(3-isopropyl-1,2,4-oxadiazol-…

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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) 0.74 5.58 -70.33 0 7 -1 101 276.272 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxo-pyridine-3-carboxylic 4,6-dimethyl-1-[(3-methyl-1,2,4-…

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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 5.08 -70.27 0 7 -1 101 262.245 3 ↓

Analogs

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Popular Name: 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[(3-ethyl-1,2,4-oxadiazol-5-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) 1.02 5.7 -71.35 0 7 -1 101 276.272 4 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxylic 4,6-dimethyl-2-oxo-1-[(3-propyl-…

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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 6.48 -71.39 0 7 -1 101 290.299 5 ↓

Analogs

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Popular Name: 1-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic 1-[(3-isopropyl-1,2,4-oxadiazol-…

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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) 1.50 6.15 -70.53 0 7 -1 101 290.299 4 ↓

Analogs

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Popular Name: 1-[[3-(1-amino-1-methyl-ethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-pyridin-2-one 1-[[3-(1-amino-1-methyl-ethyl)-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) 0.61 1.7 -46 3 6 1 89 249.294 3 ↓
Hi High (pH 8-9.5) 0.61 1.46 -13.43 2 6 0 87 248.286 3 ↓

Analogs

43402370
43402370
43403870
43403870

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Popular Name: 5-bromo-1-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one 5-bromo-1-[(3-isopropyl-1,2,4-ox…

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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) 2.14 4.37 -12.42 0 5 0 61 298.14 3 ↓

Analogs

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Popular Name: 1-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-pyridin-2-one 1-[(3-isobutyl-1,2,4-oxadiazol-5…

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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) 1.72 5.24 -14.32 0 5 0 61 247.298 4 ↓

Analogs

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Popular Name: 1-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxo-pyridine-3-carboxylic 1-[(3-isopropyl-1,2,4-oxadiazol-…

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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) 0.90 4.32 -45.71 0 7 -1 101 262.245 4 ↓

Analogs

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Popular Name: 6-oxo-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxylic 6-oxo-1-[(3-propyl-1,2,4-oxadiaz…

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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) 0.92 4.66 -45.63 0 7 -1 101 262.245 5 ↓

Parameters Provided:

ring.id = 11872
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 = 11872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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