UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-methyl-4-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-4-[[1-(o-tolyl)tetrazol…

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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) 3.57 8.54 -48.32 1 8 -1 117 412.476 5 ↓

Analogs

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Popular Name: 4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[[1-(2,4-dimethylphenyl)tetraz…

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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) 3.99 9.21 -47.91 1 8 -1 117 426.503 5 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-6-oxo-4-[(1-phenyltetra…

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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) 2.95 7.66 -48.86 1 8 -1 117 398.449 5 ↓

Analogs

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Popular Name: 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridi 4-[[1-(2-methoxy-5-methyl-phenyl…

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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) 3.81 7.9 -51.92 1 9 -1 126 442.502 6 ↓

Analogs

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Popular Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carbox 4-[[1-(4-chlorophenyl)tetrazol-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) 3.63 8.18 -46.58 1 8 -1 117 432.894 5 ↓

Analogs

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Popular Name: 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carbox 4-[[1-(2-ethoxyphenyl)tetrazol-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) 3.55 8.16 -52.49 1 9 -1 126 442.502 7 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[[1-(p-tolyl)tetrazol-5-yl]sulfanylmethyl]-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-6-oxo-4-[[1-(p-tolyl)te…

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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) 3.40 8.34 -47.71 1 8 -1 117 412.476 5 ↓

Analogs

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Popular Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carbo 4-[[1-(4-methoxyphenyl)tetrazol-…

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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) 3.01 6.95 -48.38 1 9 -1 126 428.475 6 ↓

Analogs

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Popular Name: 4-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[[1-(2,5-dimethylphenyl)tetraz…

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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) 4.20 9.21 -48.6 1 8 -1 117 426.503 5 ↓

Parameters Provided:

ring.id = 117006
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 = 117006 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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