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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-amino-2,6-dimethyl-phenyl)-5,6-dihydro-4H-cyclopenta[d]thiophene-2-carboxamide N-(3-amino-2,6-dimethyl-phenyl)-…

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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) 2.68 6.83 -10.57 3 3 0 55 286.4 2 ↓

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-(2-cyano-3-fluoro-phenyl)-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) 3.21 8 -7.81 1 3 0 53 286.331 2 ↓

Analogs

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Popular Name: N-(2-carbamothioyl-3-fluoro-phenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-(2-carbamothioyl-3-fluoro-phen…

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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) 3.25 6.86 -14.74 3 3 0 55 320.414 3 ↓

Analogs

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Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-5,6-dihydro-4H-cyclopenta[d]thiophene-2-carboxamide N-(4-methyl-3-sulfamoyl-phenyl)-…

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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) 2.46 3.25 -19.93 3 5 0 89 336.438 3 ↓

Analogs

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Popular Name: 3-bromo-2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoic 3-bromo-2-(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) 4.19 9.14 -47.67 1 4 -1 69 365.228 3 ↓

Analogs

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Popular Name: 5-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoic 5-amino-2-(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) 2.48 6.28 -49.29 3 5 -1 95 301.347 3 ↓

Analogs

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Popular Name: 4-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoic 4-amino-2-(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) 2.48 6.31 -51.6 3 5 -1 95 301.347 3 ↓

Analogs

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Popular Name: 3-amino-4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoic 3-amino-4-(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) 2.71 6.23 -55.11 3 5 -1 95 301.347 3 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[3-(2-aminoethoxy)phenyl]-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) 2.22 5.23 -45.69 4 4 1 66 303.407 5 ↓
Hi High (pH 8-9.5) 2.22 4.8 -13.33 3 4 0 64 302.399 5 ↓

Analogs

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Popular Name: 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-3-fluoro-benzoic 4-(5,6-dihydro-4H-cyclopenta[b]t…

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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) 3.39 8.19 -47.58 1 4 -1 69 304.322 3 ↓

Analogs

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Popular Name: N-(4-amino-3-methoxy-phenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-(4-amino-3-methoxy-phenyl)-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) 2.85 4.83 -9.5 3 4 0 64 288.372 3 ↓

Analogs

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Popular Name: N-(2-amino-6-methyl-phenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-(2-amino-6-methyl-phenyl)-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) 3.22 6.35 -8.99 3 3 0 55 272.373 2 ↓

Analogs

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Popular Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[2-[(1S)-1-hydroxyethyl]phenyl…

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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) 2.90 5.94 -9.73 2 3 0 49 287.384 3 ↓

Analogs

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Popular Name: N-[2-[(1R)-1-hydroxyethyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[2-[(1R)-1-hydroxyethyl]phenyl…

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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) 2.90 5.99 -9.87 2 3 0 49 287.384 3 ↓

Parameters Provided:

ring.id = 47624
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 = 47624 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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