UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-bromo-4-[[(1S)-1-cyclohexylethyl]sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[[(1S)-1-cyclohexyleth…

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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) 3.96 5.58 -46.13 1 5 -1 86 395.32 5 ↓

Analogs

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Popular Name: 5-bromo-4-[[(1R)-1-cyclohexylethyl]sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[[(1R)-1-cyclohexyleth…

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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) 3.96 5.7 -46.95 1 5 -1 86 395.32 5 ↓

Analogs

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Popular Name: 3-[[(1S)-1-cyclohexylethyl]sulfamoyl]thiophene-2-carboxylic 3-[[(1S)-1-cyclohexylethyl]sulfa…

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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) 3.02 5.6 -48.21 1 5 -1 86 316.424 5 ↓

Analogs

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Popular Name: 3-[[(1R)-1-cyclohexylethyl]sulfamoyl]thiophene-2-carboxylic 3-[[(1R)-1-cyclohexylethyl]sulfa…

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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) 3.02 5.75 -46.87 1 5 -1 86 316.424 5 ↓

Analogs

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Popular Name: 3-[[(1S)-1-cyclohexylpropyl]sulfamoyl]thiophene-2-carboxylic 3-[[(1S)-1-cyclohexylpropyl]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) 3.56 6.41 -48.04 1 5 -1 86 330.451 6 ↓

Analogs

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Popular Name: 3-[[(1R)-1-cyclohexylpropyl]sulfamoyl]thiophene-2-carboxylic 3-[[(1R)-1-cyclohexylpropyl]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) 3.56 6.42 -48.53 1 5 -1 86 330.451 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.84 8.12 -11.59 0 5 0 64 357.497 8 ↓

Analogs

37172848
37172848
37172849
37172849
36169209
36169209
36169208
36169208
36983905
36983905

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Popular Name: 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclohexylmethyl(meth…

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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) 3.87 6.58 -47.45 0 5 -1 78 395.32 5 ↓

Parameters Provided:

ring.id = 221444
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 = 221444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=221444&filter.purchasability=annotated

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