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

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Popular Name: (3S)-1,1-dioxo-N-[(1S)-1-(2-thienyl)propyl]-2,3-dihydrobenzothiophen-3-amine (3S)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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 4.78 -13.36 1 3 0 46 307.44 4 ↓
Mid Mid (pH 6-8) 3.16 5.07 -53.26 2 3 1 51 308.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(1R)-1-(2-thienyl)propyl]-2,3-dihydrobenzothiophen-3-amine (3S)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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 4.57 -11.73 1 3 0 46 307.44 4 ↓
Mid Mid (pH 6-8) 3.16 5.5 -44.46 2 3 1 51 308.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[(1S)-1-(2-thienyl)propyl]-2,3-dihydrobenzothiophen-3-amine (3R)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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 4.79 -11.6 1 3 0 46 307.44 4 ↓
Mid Mid (pH 6-8) 3.16 5.37 -53.53 2 3 1 51 308.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[(1R)-1-(2-thienyl)propyl]-2,3-dihydrobenzothiophen-3-amine (3R)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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 4.37 -12.96 1 3 0 46 307.44 4 ↓
Mid Mid (pH 6-8) 3.16 5.8 -52.41 2 3 1 51 308.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(1S)-1-(2-thienyl)butyl]-2,3-dihydrobenzothiophen-3-amine (3S)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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 5.1 -12.58 1 3 0 46 321.467 5 ↓
Mid Mid (pH 6-8) 3.72 6.47 -46.22 2 3 1 51 322.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(1R)-1-(2-thienyl)butyl]-2,3-dihydrobenzothiophen-3-amine (3S)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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 5.33 -11.56 1 3 0 46 321.467 5 ↓
Mid Mid (pH 6-8) 3.72 6.24 -45.04 2 3 1 51 322.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[(1S)-1-(2-thienyl)butyl]-2,3-dihydrobenzothiophen-3-amine (3R)-1,1-dioxo-N-[(1S)-1-(2-thie…

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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 5.24 -11.67 1 3 0 46 321.467 5 ↓
Mid Mid (pH 6-8) 3.72 6.16 -54.78 2 3 1 51 322.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[(1R)-1-(2-thienyl)butyl]-2,3-dihydrobenzothiophen-3-amine (3R)-1,1-dioxo-N-[(1R)-1-(2-thie…

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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 5.57 -12.74 1 3 0 46 321.467 5 ↓
Mid Mid (pH 6-8) 3.72 6.57 -53.75 2 3 1 51 322.475 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3S)-N-[(1S)-2-methyl-1-(2-thien…

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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) 3.40 5.42 -13.23 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 3.40 5.8 -50.32 2 3 1 51 322.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3S)-N-[(1R)-2-methyl-1-(2-thien…

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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) 3.40 5.05 -11.57 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 3.40 6.09 -43.44 2 3 1 51 322.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3R)-N-[(1S)-2-methyl-1-(2-thien…

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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) 3.40 5.38 -11.5 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 3.40 6.09 -54.91 2 3 1 51 322.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3R)-N-[(1R)-2-methyl-1-(2-thien…

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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) 3.40 4.83 -12.95 1 3 0 46 321.467 4 ↓
Mid Mid (pH 6-8) 3.40 6.4 -51.59 2 3 1 51 322.475 4 ↓

Parameters Provided:

ring.id = 579521
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 = 579521 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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