UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanesulfonamide N-(6-oxo-5,6-dihydro-4H-cyclopen…

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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) 0.54 0.51 -16.95 1 4 0 63 231.298 2 ↓

Analogs

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Popular Name: N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanesulfonamide N-(6-oxo-5,6-dihydro-4H-cyclopen…

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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) 0.54 0.59 -15.69 1 4 0 63 231.298 2 ↓

Analogs

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Popular Name: N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzenecarboxamide N-(6-oxo-5,6-dihydro-4H-cyclopen…

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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) 3.07 7.02 -12.76 1 3 0 46 325.311 3 ↓

Analogs

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Popular Name: N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-3-(trifluoromethyl)benzenecarboxamide N-(6-oxo-5,6-dihydro-4H-cyclopen…

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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) 3.07 0.94 -13.15 1 3 0 46 325.311 3 ↓

Analogs

8782196
8782196

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Popular Name: N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-thiophenesulfonamide N-(6-oxo-5,6-dihydro-4H-cyclopen…

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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) 2.02 -6.21 -13.5 1 4 0 63 299.398 3 ↓

Analogs

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Popular Name: 4-methoxy-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenesulfonamide 4-methoxy-N-(6-oxo-5,6-dihydro-4…

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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) 2.13 -5.18 -13.77 1 5 0 72 323.395 4 ↓

Analogs

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Popular Name: N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-furamide N-(6-oxo-5,6-dihydro-4H-cyclopen…

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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 4.03 -10.75 1 4 0 59 247.275 2 ↓

Analogs

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Popular Name: N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-furamide N-(6-oxo-5,6-dihydro-4H-cyclopen…

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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 4.03 -10.76 1 4 0 59 247.275 2 ↓

Analogs

6321054
6321054

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Popular Name: 2,4-dichloro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenecarboxamide 2,4-dichloro-N-(6-oxo-5,6-dihydr…

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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) 3.48 7.06 -11.09 1 3 0 46 326.204 2 ↓

Analogs

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Popular Name: 2-nitro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenesulfonamide 2-nitro-N-(6-oxo-5,6-dihydro-4H-…

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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) 1.98 -3.94 -17.62 1 7 0 109 338.366 4 ↓

Analogs

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Popular Name: 2-nitro-N-(6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)benzenesulfonamide 2-nitro-N-(6-oxo-5,6-dihydro-4H-…

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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) 1.98 -3.89 -18.72 1 7 0 109 338.366 4 ↓

Analogs

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Popular Name: N-(5-bromo-6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide N-(5-bromo-6-oxo-5,6-dihydro-4H-…

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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) 1.86 0.05 -8.5 1 3 0 46 328.109 2 ↓

Analogs

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Popular Name: N-(5-bromo-6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide N-(5-bromo-6-oxo-5,6-dihydro-4H-…

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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) 1.86 -0.51 -8.71 1 3 0 46 328.109 2 ↓

Analogs

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Popular Name: N-(5-bromo-6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide N-(5-bromo-6-oxo-5,6-dihydro-4H-…

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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) 1.86 -0.51 -8.68 1 3 0 46 328.109 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-6-oxo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide N-(5-bromo-6-oxo-5,6-dihydro-4H-…

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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) 1.86 0.01 -8.58 1 3 0 46 328.109 2 ↓

Parameters Provided:

ring.id = 228983
filter.purchasability = annotated
page.format = targets
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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 = 228983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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