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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)-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-methyl-2-(1-piper…

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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) 1.16 3.38 -42.81 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.45 -9.91 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 2.6 -53.28 2 4 1 54 275.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-methyl-2-(1-piper…

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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) 1.16 3.62 -45.09 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.25 -9.61 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 2.82 -49.31 2 4 1 54 275.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-methyl-2-(1-piper…

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) 1.16 3.48 -48.96 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.92 -9.62 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 2.9 -49.16 2 4 1 54 275.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.16 3.76 -42.38 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.37 -10.65 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 2.87 -48.97 2 4 1 54 275.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[(2S)-2-(1-piperidyl)propyl]thian-3-amine (3R)-1,1-dioxo-N-[(2S)-2-(1-pipe…

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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) 1.16 3.22 -42.11 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.44 -9.28 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 4.41 -136.8 3 4 2 55 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[(2R)-2-(1-piperidyl)propyl]thian-3-amine (3R)-1,1-dioxo-N-[(2R)-2-(1-pipe…

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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) 1.16 3.39 -42.91 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.05 -9.59 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 4.46 -138.55 3 4 2 55 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(2S)-2-(1-piperidyl)propyl]thian-3-amine (3S)-1,1-dioxo-N-[(2S)-2-(1-pipe…

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) 1.16 3.23 -45.06 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.43 -9.88 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 4.41 -138.59 3 4 2 55 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[(2R)-2-(1-piperidyl)propyl]thian-3-amine (3S)-1,1-dioxo-N-[(2R)-2-(1-pipe…

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) 1.16 3.38 -42.28 2 4 1 51 275.438 4 ↓
Hi High (pH 8-9.5) 1.16 1.04 -10.55 1 4 0 49 274.43 4 ↓
Mid Mid (pH 6-8) 1.16 4.45 -137.19 3 4 2 55 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-methyl-1-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[2-(4-methyl-1-piperidyl)…

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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) 1.07 3.27 -45.19 2 4 1 51 275.438 4 ↓
Mid Mid (pH 6-8) 1.07 4.45 -138.87 3 4 2 55 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-methyl-1-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[2-(4-methyl-1-piperidyl)…

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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) 1.07 3.28 -46.34 2 4 1 51 275.438 4 ↓
Mid Mid (pH 6-8) 1.07 4.45 -138.84 3 4 2 55 276.446 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.83 2.66 -44.05 2 4 1 51 261.411 4 ↓
Hi High (pH 8-9.5) 0.83 0.44 -9.93 1 4 0 49 260.403 4 ↓
Mid Mid (pH 6-8) 0.83 3.83 -136.66 3 4 2 55 262.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.83 2.66 -45.24 2 4 1 51 261.411 4 ↓
Hi High (pH 8-9.5) 0.83 0.44 -10.83 1 4 0 49 260.403 4 ↓
Mid Mid (pH 6-8) 0.83 3.83 -136.68 3 4 2 55 262.419 4 ↓

Parameters Provided:

ring.id = 286890
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 = 286890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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