UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)-2-(4-hydroxyphenyl)acetamide N-(3-cyano-5,6-dihydro-4H-cyclop…

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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) 2.57 5.82 -14.13 2 4 0 73 298.367 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide 2-(3-aminophenyl)-N-(3-cyano-5,6…

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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) 2.10 6.56 -9.77 3 4 0 79 297.383 3 ↓

Analogs

5268059
5268059
10700780
10700780
13963110
13963110
118493
118493

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2-methylphenyl)acetyl]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) 3.52 9.51 -11.49 1 4 0 55 329.421 5 ↓

Analogs

5268011
5268011
10700506
10700506
13963086
13963086
94939
94939

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2-methylphenyl)acetyl]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) 3.90 10.43 -11.23 1 4 0 55 343.448 6 ↓

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]-, 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) 5.22 12.2 -10.17 1 4 0 55 385.529 7 ↓

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]-, 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) 5.22 12.21 -10.22 1 4 0 55 385.529 7 ↓

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]-, 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) 5.60 13.13 -9.97 1 4 0 55 399.556 8 ↓

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]-, 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) 5.60 13.13 -9.97 1 4 0 55 399.556 8 ↓

Parameters Provided:

ring.id = 23204
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 = 23204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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