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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[(1R)-1-methylpropyl]piperazin-1-yl]sulfonylfuran-2-carboxylic 5-[4-[(1R)-1-methylpropyl]pipera…

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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) 1.47 4.99 -68.16 1 7 0 95 316.379 5 ↓
Mid Mid (pH 6-8) 1.47 3.09 -49.18 0 7 -1 94 315.371 5 ↓

Analogs

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Popular Name: 5-[4-[(1S)-1-methylpropyl]piperazin-1-yl]sulfonylfuran-2-carboxylic 5-[4-[(1S)-1-methylpropyl]pipera…

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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) 1.47 5.01 -70.73 1 7 0 95 316.379 5 ↓
Mid Mid (pH 6-8) 1.47 3.19 -48.65 0 7 -1 94 315.371 5 ↓

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) 1.09 1.91 -12.46 0 7 0 80 338.332 6 ↓

Analogs

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Popular Name: 5-(4-tert-butylpiperazin-1-yl)sulfonylfuran-2-carboxylic 5-(4-tert-butylpiperazin-1-yl)su…

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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) 1.45 4.64 -69.56 1 7 0 95 316.379 4 ↓
Mid Mid (pH 6-8) 1.45 2.57 -48.73 0 7 -1 94 315.371 4 ↓

Analogs

45703108
45703108
20593318
20593318
20593291
20593291
36170782
36170782

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methylsulfonylpiperazin-1-yl)sulfonylfuran-2-carboxylic 5-(4-methylsulfonylpiperazin-1-y…

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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) -0.37 -0.14 -55.65 0 9 -1 128 337.355 4 ↓

Analogs

59788276
59788276
20593313
20593313
20593318
20593318
20593291
20593291

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Popular Name: 5-(4-isobutylpiperazin-1-yl)sulfonylfuran-2-carboxylic 5-(4-isobutylpiperazin-1-yl)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) 1.38 5.35 -73.31 1 7 0 95 316.379 5 ↓
Mid Mid (pH 6-8) 1.38 3.42 -48.68 0 7 -1 94 315.371 5 ↓

Analogs

59788276
59788276
20593318
20593318
20593291
20593291
36170782
36170782

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-prop-2-ynylpiperazin-1-yl)sulfonylfuran-2-carboxylic 5-(4-prop-2-ynylpiperazin-1-yl)s…

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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) 0.42 2.21 -50.72 0 7 -1 94 297.312 4 ↓
Lo Low (pH 4.5-6) 0.42 4.47 -75.62 1 7 0 95 298.32 4 ↓

Parameters Provided:

ring.id = 95276
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 = 95276 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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