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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrob 2-[[2-[1-(4-hydroxyphenyl)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) 1.90 3.97 -16 3 10 0 131 488.595 9 ↓

Analogs

2607006
2607006
2607021
2607021
2607024
2607024
3510498
3510498
33713398
33713398

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Popular Name: 2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid- 2-[[2-[(1-phenyltetrazol-5-yl)th…

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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) 3.41 1.08 -14.02 1 8 0 99 443.554 8 ↓

Analogs

2607010
2607010
2607025
2607025

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Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 2.96 1.42 -12.61 1 7 0 96 396.501 5 ↓

Analogs

39895177
39895177
39895178
39895178
39895179
39895179
39895180
39895180
39895202
39895202

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Popular Name: methyl 6-tert-butyl-2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate methyl 6-tert-butyl-2-({[(1-phen…

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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) 4.84 11.48 -13.89 1 8 0 99 485.635 8 ↓

Analogs

39895177
39895177
39895178
39895178
39895179
39895179
39895180
39895180
39895202
39895202

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 6-tert-butyl-2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate methyl 6-tert-butyl-2-({[(1-phen…

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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) 4.84 11.48 -13.88 1 8 0 99 485.635 8 ↓

Analogs

2783750
2783750

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Popular Name: BRD-A76929029-001-01-1 BRD-A76929029-001-01-1

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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) 3.82 10.4 -14.15 1 7 0 97 424.555 6 ↓

Analogs

2783749
2783749

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Popular Name: BRD-A76929029-001-01-1 BRD-A76929029-001-01-1

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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) 3.82 10.42 -14.75 1 7 0 97 424.555 6 ↓

Parameters Provided:

ring.id = 45425
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 = 45425 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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