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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: (3R)-1,1-dioxo-N-[(1S)-1-(2-pyridyl)ethyl]thian-3-amine (3R)-1,1-dioxo-N-[(1S)-1-(2-pyri…

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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) 0.68 2.67 -47.63 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.68 1.7 -12.77 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[(1R)-1-(2-pyridyl)ethyl]thian-3-amine (3R)-1,1-dioxo-N-[(1R)-1-(2-pyri…

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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) 0.68 2.63 -48.98 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.68 1.6 -12.24 1 4 0 59 254.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(1S)-1-(2-pyridyl)ethyl]thian-3-amine (3S)-1,1-dioxo-N-[(1S)-1-(2-pyri…

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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) 0.68 2.63 -49 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.68 1.62 -12.87 1 4 0 59 254.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(1R)-1-(2-pyridyl)ethyl]thian-3-amine (3S)-1,1-dioxo-N-[(1R)-1-(2-pyri…

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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) 0.68 2.66 -47.61 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.68 1.6 -15.23 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3R)-N-[(6-methyl-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(6-methyl-2-pyridyl)meth…

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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) 0.17 2.47 -53.25 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.17 1.27 -12.83 1 4 0 59 254.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(6-methyl-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(6-methyl-2-pyridyl)meth…

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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) 0.17 2.46 -54.98 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.17 1.27 -15.32 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3R)-N-[(3-methyl-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(3-methyl-2-pyridyl)meth…

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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) 0.90 2.41 -52.52 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.90 1.21 -12.68 1 4 0 59 254.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3-methyl-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(3-methyl-2-pyridyl)meth…

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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) 0.90 2.41 -54.31 2 4 1 64 255.363 3 ↓
Mid Mid (pH 6-8) 0.90 1.22 -15.44 1 4 0 59 254.355 3 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-pyridylmethyl)thian-3-amine (3S)-3-(aminomethyl)-N-methyl-1,…

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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) -0.76 -0.07 -51.49 3 5 1 78 284.405 4 ↓
Hi High (pH 8-9.5) -0.76 -0.75 -11.36 2 5 0 76 283.397 4 ↓
Mid Mid (pH 6-8) -0.76 -0.01 -111.24 4 5 2 79 285.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-pyridylmethyl)thian-3-amine (3R)-3-(aminomethyl)-N-methyl-1,…

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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) -0.76 -0.02 -55.99 3 5 1 78 284.405 4 ↓
Hi High (pH 8-9.5) -0.76 -0.74 -12.26 2 5 0 76 283.397 4 ↓
Mid Mid (pH 6-8) -0.76 0.13 -114.78 4 5 2 79 285.413 4 ↓

Analogs

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Popular Name: (3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(4-methoxy-3,5-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) 1.32 2.39 -55.85 2 5 1 73 299.416 4 ↓
Mid Mid (pH 6-8) 1.32 1.71 -42.02 2 5 1 70 299.416 4 ↓
Mid Mid (pH 6-8) 1.32 1.2 -13.75 1 5 0 68 298.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(4-methoxy-3,5-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) 1.32 2.4 -54.37 2 5 1 73 299.416 4 ↓
Mid Mid (pH 6-8) 1.32 1.72 -41.79 2 5 1 70 299.416 4 ↓
Mid Mid (pH 6-8) 1.32 1.2 -13.09 1 5 0 68 298.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(6-methoxy-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(6-methoxy-2-pyridyl)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) 0.51 0.34 -56.84 2 5 1 73 271.362 4 ↓
Mid Mid (pH 6-8) 0.51 -0.87 -13.6 1 5 0 68 270.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(6-methoxy-2-pyridyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(6-methoxy-2-pyridyl)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) 0.51 0.33 -58.52 2 5 1 73 271.362 4 ↓
Mid Mid (pH 6-8) 0.51 -0.86 -16.18 1 5 0 68 270.354 4 ↓

Parameters Provided:

ring.id = 286372
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 = 286372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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