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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[(2-methylphenyl)acetyl]amino]thioxomethyl]amino]-, methyl este 4H-cyclopenta[b]thiophene-3-carb…

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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) 3.71 11.1 -18.21 2 5 0 67 388.514 7 ↓

Analogs

1155978
1155978

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[(2-methylphenyl)acetyl]amino]thioxomethyl]amino]-, ethyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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) 4.09 12.03 -17.95 2 5 0 67 402.541 8 ↓

Analogs

8563668
8563668

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Popular Name: benzeneacetamide, N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]thioxomethyl]-2-methyl- benzeneacetamide, N-[[(3-cyano-5…

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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) 3.64 10.81 -15.55 2 4 0 65 355.488 5 ↓

Analogs

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]amino]-, methyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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) 5.41 13.81 -16.57 2 5 0 67 444.622 9 ↓
Hi High (pH 8-9.5) 5.60 12.33 -43.05 1 5 -1 74 443.614 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]amino]-, methyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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) 5.41 13.82 -16.52 2 5 0 67 444.622 9 ↓
Hi High (pH 8-9.5) 5.60 12.35 -43.57 1 5 -1 74 443.614 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]amino]-, ethyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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) 5.79 14.74 -16.34 2 5 0 67 458.649 10 ↓
Hi High (pH 8-9.5) 5.97 13.27 -43.79 1 5 -1 74 457.641 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]amino]-, ethyl ester 4H-cyclopenta[b]thiophene-3-carb…

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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) 5.79 14.74 -16.3 2 5 0 67 458.649 10 ↓
Hi High (pH 8-9.5) 5.97 13.26 -43.21 1 5 -1 74 457.641 10 ↓

Parameters Provided:

ring.id = 247861
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 = 247861 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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