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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: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.37 2.58 -19.27 2 6 0 93 329.447 5 ↓
Lo Low (pH 4.5-6) 0.37 3.06 -47.12 3 6 1 95 330.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.37 2.59 -21.51 2 6 0 93 329.447 5 ↓
Lo Low (pH 4.5-6) 0.37 3.07 -48.68 3 6 1 95 330.455 5 ↓

Analogs

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Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3R,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.07 1.1 -19.23 3 6 0 102 335.838 4 ↓
Lo Low (pH 4.5-6) 0.07 1.57 -48.88 4 6 1 103 336.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3S,4R)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.07 0.39 -18.62 3 6 0 102 335.838 4 ↓
Lo Low (pH 4.5-6) 0.07 0.85 -47.79 4 6 1 103 336.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3R,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.07 0.37 -23.02 3 6 0 102 335.838 4 ↓
Lo Low (pH 4.5-6) 0.07 0.83 -54.99 4 6 1 103 336.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3S,4S)-4-chloro-1,1-dioxo-thiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.07 0.5 -18.74 3 6 0 102 335.838 4 ↓
Lo Low (pH 4.5-6) 0.07 0.96 -48.22 4 6 1 103 336.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.20 0.26 -18.34 3 6 0 102 315.42 4 ↓
Lo Low (pH 4.5-6) 0.20 0.75 -46.4 4 6 1 103 316.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.20 0.3 -18.03 3 6 0 102 315.42 4 ↓
Lo Low (pH 4.5-6) 0.20 0.79 -45.17 4 6 1 103 316.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) -0.25 -0.19 -20.27 3 6 0 102 301.393 4 ↓
Lo Low (pH 4.5-6) -0.25 0.28 -51.25 4 6 1 103 302.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) -0.25 -0.18 -19.5 3 6 0 102 301.393 4 ↓
Lo Low (pH 4.5-6) -0.25 0.29 -50.15 4 6 1 103 302.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

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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) 0.00 1.6 -21.11 2 6 0 93 315.42 4 ↓
Lo Low (pH 4.5-6) 0.00 2.08 -49.55 3 6 1 95 316.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3-pyridyl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-[(6-amino-3-pyridyl)sulfanyl]-…

Find On: PubMed — Wikipedia — Google

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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) 0.00 1.6 -19.76 2 6 0 93 315.42 4 ↓
Lo Low (pH 4.5-6) 0.00 2.08 -48.17 3 6 1 95 316.428 4 ↓

Parameters Provided:

ring.id = 545868
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 = 545868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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