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

Analogs

37837017
37837017
37837018
37837018
37837369
37837369

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Popular Name: 5-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic 5-[(2S)-2-(dimethylcarbamoyl)pyr…

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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) -0.33 3.52 -62.95 0 8 -1 111 315.327 4 ↓

Analogs

37837017
37837017
37837018
37837018
37837369
37837369

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic 5-[(2R)-2-(dimethylcarbamoyl)pyr…

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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) -0.33 3.77 -58.81 0 8 -1 111 315.327 4 ↓

Analogs

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Popular Name: 5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic 5-[(3R)-3-(dimethylamino)pyrroli…

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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) 0.52 3.64 -76.1 1 7 0 95 288.325 4 ↓
Hi High (pH 8-9.5) 0.52 1.25 -48.59 0 7 -1 94 287.317 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic 5-[(3S)-3-(dimethylamino)pyrroli…

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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) 0.52 3.65 -75.05 1 7 0 95 288.325 4 ↓
Hi High (pH 8-9.5) 0.52 1.26 -49.46 0 7 -1 94 287.317 4 ↓

Analogs

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Popular Name: 5-[(3R)-3-(diethylamino)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic 5-[(3R)-3-(diethylamino)pyrrolid…

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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) 1.27 4.67 -73.67 1 7 0 95 316.379 6 ↓
Hi High (pH 8-9.5) 1.27 2.66 -48.35 0 7 -1 94 315.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic 5-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.27 4.65 -72.15 1 7 0 95 316.379 6 ↓
Hi High (pH 8-9.5) 1.27 2.55 -49.19 0 7 -1 94 315.371 6 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-5-pyrrolidin-1-ylsulfonyl-furan-2-carboxamide N-(2-bromoallyl)-5-pyrrolidin-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) 1.50 1.98 -11.07 1 6 0 80 363.233 5 ↓

Parameters Provided:

ring.id = 64927
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 = 64927 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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