UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14005030
14005030

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(3,5-dichlorobenzoyl)amino]thioxomethyl]amino]-5,6-dihydro-, 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) 4.50 -0.32 -14.23 2 5 0 67 429.35 6 ↓

Analogs

2281980
2281980

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(3,5-dichlorobenzoyl)amino]thioxomethyl]amino]-5,6-dihydro-, 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) 4.88 -0.35 -13.95 2 5 0 67 443.377 7 ↓

Analogs

8563705
8563705

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

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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) 4.43 0.01 -11.75 2 4 0 64 396.324 4 ↓

Analogs

8563275
8563275

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(4-ethoxybenzoyl)amino]thioxomethyl]amino]-5,6-dihydro-, 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) 3.65 10.19 -16.7 2 6 0 77 404.513 8 ↓

Analogs

14274196
14274196

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Popular Name: 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(4-ethoxybenzoyl)amino]thioxomethyl]amino]-5,6-dihydro-, 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) 4.03 11.12 -16.41 2 6 0 77 418.54 9 ↓

Parameters Provided:

ring.id = 9039
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 = 9039 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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