UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45629686
45629686
45629688
45629688

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Popular Name: 4-(cyclopentylmethylsulfamoyl)-1-propyl-pyrrole-2-carboxylic 4-(cyclopentylmethylsulfamoyl)-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) 2.39 5.7 -52.26 1 6 -1 91 313.399 7 ↓

Analogs

45629686
45629686
45629688
45629688

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Popular Name: 4-(cyclopentylmethylsulfamoyl)-1-ethyl-pyrrole-2-carboxylic 4-(cyclopentylmethylsulfamoyl)-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) 1.89 4.95 -51.91 1 6 -1 91 299.372 6 ↓

Analogs

45629686
45629686
45629688
45629688

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(cyclopentylmethylsulfamoyl)-1-isopropyl-pyrrole-2-carboxylic 4-(cyclopentylmethylsulfamoyl)-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) 2.25 5.5 -52.12 1 6 -1 91 313.399 6 ↓

Analogs

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Popular Name: 4-[[(1S)-1-cyclopentylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopentylethyl]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) 1.77 3.09 -51.23 2 6 -1 102 285.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopentylethyl]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) 1.77 2.87 -50.28 2 6 -1 102 285.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopentylethyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopentylethyl]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) 1.84 4.72 -52.42 1 6 -1 91 299.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopentylethyl]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) 1.84 4.5 -51.41 1 6 -1 91 299.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopentylethyl]sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopentylethyl]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) 2.22 5.59 -53.18 1 6 -1 91 313.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopentylethyl]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) 2.22 5.37 -52.16 1 6 -1 91 313.399 6 ↓

Analogs

37984368
37984368
42477111
42477111
42477113
42477113
42477115
42477115
42477117
42477117

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(cyclopentylmethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic 4-(cyclopentylmethylsulfamoyl)-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) 1.51 4.08 -51.17 1 6 -1 91 285.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopentylmethyl(methyl)sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[cyclopentylmethyl(methyl)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) 1.00 2.01 -13.75 2 6 0 85 299.396 5 ↓

Parameters Provided:

ring.id = 113504
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 = 113504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=113504&filter.purchasability=annotated

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