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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichloro-3-thienyl)-2-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dichloro-3-thienyl)-2-[et…

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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) 3.43 8.35 -37.22 1 3 1 31 323.265 6 ↓
Hi High (pH 8-9.5) 3.43 6.21 -7.62 0 3 0 30 322.257 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichloro-3-thienyl)-2-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dichloro-3-thienyl)-2-[et…

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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) 3.43 8.09 -36.6 1 3 1 31 323.265 6 ↓
Hi High (pH 8-9.5) 3.43 6.23 -7.97 0 3 0 30 322.257 6 ↓

Analogs

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Popular Name: 1-(2,5-dibromo-3-thienyl)-2-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dibromo-3-thienyl)-2-[eth…

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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) 3.69 8.57 -37.12 1 3 1 31 412.167 6 ↓
Hi High (pH 8-9.5) 3.69 6.44 -7.16 0 3 0 30 411.159 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dibromo-3-thienyl)-2-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dibromo-3-thienyl)-2-[eth…

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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) 3.69 8.31 -36.56 1 3 1 31 412.167 6 ↓
Hi High (pH 8-9.5) 3.69 6.46 -7.52 0 3 0 30 411.159 6 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-3-thienyl)-2-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dimethyl-3-thienyl)-2-[et…

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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) 2.27 8.74 -34.78 1 3 1 31 282.429 6 ↓
Hi High (pH 8-9.5) 2.27 6.61 -8.35 0 3 0 30 281.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethyl-3-thienyl)-2-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dimethyl-3-thienyl)-2-[et…

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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) 2.27 8.48 -34.23 1 3 1 31 282.429 6 ↓
Hi High (pH 8-9.5) 2.27 6.63 -8.73 0 3 0 30 281.421 6 ↓

Analogs

37338395
37338395
37338396
37338396

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichloro-3-thienyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dichloro-3-thienyl)-2-[me…

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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) 3.06 7.68 -38.73 1 3 1 31 309.238 5 ↓
Mid Mid (pH 6-8) 3.06 5.33 -7.79 0 3 0 30 308.23 5 ↓

Analogs

37338395
37338395
37338396
37338396

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dichloro-3-thienyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dichloro-3-thienyl)-2-[me…

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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) 3.06 7.68 -38.91 1 3 1 31 309.238 5 ↓
Mid Mid (pH 6-8) 3.06 5.36 -7.91 0 3 0 30 308.23 5 ↓

Analogs

37338454
37338454
37338456
37338456

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dibromo-3-thienyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dibromo-3-thienyl)-2-[met…

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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) 3.32 7.89 -38.7 1 3 1 31 398.14 5 ↓
Mid Mid (pH 6-8) 3.32 5.55 -7.39 0 3 0 30 397.132 5 ↓

Analogs

37338454
37338454
37338456
37338456

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dibromo-3-thienyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dibromo-3-thienyl)-2-[met…

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Activity (Go SEA)

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) 3.32 7.9 -38.88 1 3 1 31 398.14 5 ↓
Mid Mid (pH 6-8) 3.32 5.58 -7.53 0 3 0 30 397.132 5 ↓

Analogs

37338554
37338554
37338556
37338556

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethyl-3-thienyl)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dimethyl-3-thienyl)-2-[me…

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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) 1.90 8.06 -36.22 1 3 1 31 268.402 5 ↓
Mid Mid (pH 6-8) 1.90 5.73 -8.5 0 3 0 30 267.394 5 ↓

Analogs

37338554
37338554
37338556
37338556

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethyl-3-thienyl)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]ethanone 1-(2,5-dimethyl-3-thienyl)-2-[me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.90 8.1 -35.44 1 3 1 31 268.402 5 ↓
Mid Mid (pH 6-8) 1.90 5.78 -8.69 0 3 0 30 267.394 5 ↓

Parameters Provided:

ring.id = 542435
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 = 542435 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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