UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylic 2-[[2-(2-thienyl)oxazol-4-yl]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) 2.99 5.57 -55.66 0 5 -1 79 317.371 5 ↓

Analogs

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Popular Name: 2-amino-6-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile 2-amino-6-[[2-(2-thienyl)oxazol-…

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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) 2.68 4.56 -13.24 2 6 0 113 339.405 4 ↓

Analogs

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Popular Name: 2-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridine-4-carboxylic 2-[[2-(2-thienyl)oxazol-4-yl]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) 3.32 5.69 -51.06 0 5 -1 79 317.371 5 ↓

Analogs

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Popular Name: 2-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridin-3-amine 2-[[5-methyl-2-(2-thienyl)oxazol…

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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) 3.12 3.88 -10.97 2 4 0 65 303.412 4 ↓

Analogs

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Popular Name: 2-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridin-3-amine 2-[[2-(2-thienyl)oxazol-4-yl]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) 2.90 3.08 -10.73 2 4 0 65 289.385 4 ↓

Analogs

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Popular Name: 6-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridin-3-amine 6-[[5-methyl-2-(2-thienyl)oxazol…

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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) 3.34 3.81 -11.29 2 4 0 65 303.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridin-3-amine 6-[[2-(2-thienyl)oxazol-4-yl]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) 3.11 3.01 -11.04 2 4 0 65 289.385 4 ↓

Analogs

48483020
48483020
5780015
5780015
8747617
8747617

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]pyridine-3-carboxylic 6-[[2-(2-thienyl)oxazol-4-yl]met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.04 5.67 -49.48 0 5 -1 79 317.371 5 ↓

Parameters Provided:

ring.id = 124985
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 = 124985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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