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ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 5-chloro-2-[3-(3-thienyl)propanoylamino]benzoic 5-chloro-2-[3-(3-thienyl)propano…

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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) 3.72 7.34 -43.53 1 4 -1 69 308.766 5 ↓

Analogs

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Popular Name: 5-bromo-2-[3-(3-thienyl)propanoylamino]benzoic 5-bromo-2-[3-(3-thienyl)propanoy…

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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) 3.86 7.44 -43.5 1 4 -1 69 353.217 5 ↓

Analogs

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Popular Name: 4,5-dimethoxy-2-[3-(3-thienyl)propanoylamino]benzoic 4,5-dimethoxy-2-[3-(3-thienyl)pr…

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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) 2.69 6.13 -47.03 1 6 -1 88 334.373 7 ↓

Analogs

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Popular Name: 2-[3-(3-thienyl)propanoylamino]benzoic 2-[3-(3-thienyl)propanoylamino]b…

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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 6.89 -48.05 1 4 -1 69 274.321 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.55 8.44 -17.1 1 4 0 55 303.383 7 ↓

Analogs

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Popular Name: 4-chloro-2-[3-(3-thienyl)propanoylamino]benzoic 4-chloro-2-[3-(3-thienyl)propano…

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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) 3.72 7.41 -43.09 1 4 -1 69 308.766 5 ↓

Analogs

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Popular Name: 4-fluoro-2-[3-(3-thienyl)propanoylamino]benzoic 4-fluoro-2-[3-(3-thienyl)propano…

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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 6.96 -42.7 1 4 -1 69 292.311 5 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-3-(3-thienyl)propanamide N-(2-chloro-4-methyl-phenyl)-3-(…

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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) 4.08 8.21 -6.57 1 2 0 29 279.792 4 ↓

Analogs

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Popular Name: N-[3-(difluoromethylsulfonyl)phenyl]-3-(3-thienyl)propanamide N-[3-(difluoromethylsulfonyl)phe…

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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) 2.43 4.83 -12.84 1 4 0 63 345.392 6 ↓

Analogs

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Popular Name: N-(2-acetamido-4,5-difluoro-phenyl)-3-(3-thienyl)propanamide N-(2-acetamido-4,5-difluoro-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) 2.43 6.25 -15.84 2 4 0 58 324.352 5 ↓

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-3-(3-thienyl)propanamide N-(2,4-difluoro-5-nitro-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) 3.17 7.75 -11.14 1 5 0 75 312.297 5 ↓

Analogs

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Popular Name: N-[3-(cyanomethoxy)phenyl]-3-(3-thienyl)propanamide N-[3-(cyanomethoxy)phenyl]-3-(3-…

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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) 2.84 6.91 -13.62 1 4 0 62 286.356 6 ↓

Analogs

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Popular Name: N-(5-chloro-2-methylsulfanyl-phenyl)-3-(3-thienyl)propanamide N-(5-chloro-2-methylsulfanyl-phe…

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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) 4.07 8.55 -8.17 1 2 0 29 311.859 5 ↓

Analogs

31955393
31955393
25256937
25256937

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Popular Name: N-(3-chloro-2-ethoxy-phenyl)-3-(3-thienyl)propanamide N-(3-chloro-2-ethoxy-phenyl)-3-(…

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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) 4.04 7.95 -6.93 1 3 0 38 309.818 6 ↓

Analogs

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Popular Name: 4-[methyl-[3-(3-thienyl)propanoyl]amino]benzamide 4-[methyl-[3-(3-thienyl)propanoy…

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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) 1.42 5.44 -13.55 2 4 0 63 288.372 5 ↓

Analogs

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Popular Name: N-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]phenyl]-3-(3-thienyl)propanamide N-[4-[2-(2-methoxyethylamino)-2-…

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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) 2.30 5.78 -16.14 2 5 0 67 346.452 9 ↓

Analogs

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Popular Name: N-(5-cyano-2-methyl-phenyl)-3-(3-thienyl)propanamide N-(5-cyano-2-methyl-phenyl)-3-(3…

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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) 3.16 8.19 -12.35 1 3 0 53 270.357 4 ↓

Analogs

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Popular Name: 4-methyl-3-[3-(3-thienyl)propanoylamino]benzamide 4-methyl-3-[3-(3-thienyl)propano…

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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 4.57 -18.52 3 4 0 72 288.372 5 ↓

Analogs

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Popular Name: N-[4-[2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-2-oxo-ethyl]phenyl]-3-(3-thienyl)propanamide N-[4-[2-[(2-hydroxy-1,1-dimethyl…

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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) 2.49 4.79 -17.76 3 5 0 78 360.479 8 ↓

Analogs

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Popular Name: N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-3-(3-thienyl)propanamide N-[4-[2-oxo-2-(2,2,2-trifluoroet…

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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) 3.24 7.16 -13.79 2 4 0 58 370.396 8 ↓

Analogs

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Popular Name: 3-methyl-4-[3-(3-thienyl)propanoylamino]benzamide 3-methyl-4-[3-(3-thienyl)propano…

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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 4.59 -12.73 3 4 0 72 288.372 5 ↓

Parameters Provided:

ring.id = 97174
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 = 97174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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