UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(piperidin-1-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one 6-(piperidin-1-ylsulfonyl)[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) 0.58 2.78 -12.29 1 7 0 88 282.325 2 ↓

Analogs

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Popular Name: 6-[(4-methylpiperidin-1-yl)sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one 6-[(4-methylpiperidin-1-yl)sulfo…

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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) 0.82 3.39 -12.91 1 7 0 88 296.352 2 ↓

Analogs

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Popular Name: 2-methyl-6-(1-piperidylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-methyl-6-(1-piperidylsulfonyl)…

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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) 0.65 4.42 -13.34 0 7 0 77 296.352 2 ↓

Analogs

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Popular Name: 2-isobutyl-6-(1-piperidylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-isobutyl-6-(1-piperidylsulfony…

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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) 1.77 6.97 -12.81 0 7 0 77 338.433 4 ↓

Analogs

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Popular Name: 2-isopentyl-6-(1-piperidylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-isopentyl-6-(1-piperidylsulfon…

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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) 2.30 7.41 -12.77 0 7 0 77 352.46 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.70 7.66 -17.2 0 9 0 103 396.469 6 ↓

Analogs

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Popular Name: 2-methyl-6-[(4-methyl-1-piperidyl)sulfonyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-methyl-6-[(4-methyl-1-piperidy…

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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) 0.89 5.05 -13.98 0 7 0 77 310.379 2 ↓

Analogs

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Popular Name: 6-[(4-methyl-1-piperidyl)sulfonyl]-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one 6-[(4-methyl-1-piperidyl)sulfony…

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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) 1.77 6.75 -13.55 0 7 0 77 338.433 4 ↓

Analogs

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Popular Name: 2-isobutyl-6-[(4-methyl-1-piperidyl)sulfonyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-isobutyl-6-[(4-methyl-1-piperi…

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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) 2.01 7.59 -13.35 0 7 0 77 352.46 4 ↓

Analogs

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Popular Name: 2-butyl-6-[(4-methyl-1-piperidyl)sulfonyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-butyl-6-[(4-methyl-1-piperidyl…

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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) 2.33 7.53 -13.43 0 7 0 77 352.46 5 ↓

Analogs

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Popular Name: 2-allyl-6-[(4-methyl-1-piperidyl)sulfonyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-allyl-6-[(4-methyl-1-piperidyl…

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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) 1.54 6.53 -13.9 0 7 0 77 336.417 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.13 7.18 -18.56 0 9 0 103 382.442 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.00 8.86 -15.73 0 9 0 103 410.496 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.00 8.86 -16.28 0 9 0 103 410.496 7 ↓

Analogs

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Popular Name: 2-[6-[(4-methyl-1-piperidyl)sulfonyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetonitrile 2-[6-[(4-methyl-1-piperidyl)sulf…

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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) 0.68 5.74 -18.13 0 8 0 100 335.389 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.94 8.28 -17.88 0 9 0 103 410.496 6 ↓

Parameters Provided:

ring.id = 507996
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 = 507996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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