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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: (3R)-N-[(1-methyl-4-piperidyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1-methyl-4-piperidyl)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) 0.69 3.84 -117.02 3 4 2 55 262.419 3 ↓
Hi High (pH 8-9.5) 0.69 2.76 -43.35 2 4 1 51 261.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1-methyl-4-piperidyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1-methyl-4-piperidyl)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) 0.69 3.84 -116 3 4 2 55 262.419 3 ↓
Hi High (pH 8-9.5) 0.69 2.77 -43.03 2 4 1 51 261.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1-ethyl-4-piperidyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1-ethyl-4-piperidyl)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) 1.07 4.5 -117.47 3 4 2 55 276.446 4 ↓
Hi High (pH 8-9.5) 1.07 3.42 -42.4 2 4 1 51 275.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1-ethyl-4-piperidyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1-ethyl-4-piperidyl)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) 1.07 4.5 -116.43 3 4 2 55 276.446 4 ↓
Hi High (pH 8-9.5) 1.07 3.44 -42.1 2 4 1 51 275.438 4 ↓

Analogs

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

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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) -0.19 2.02 -104.22 4 5 2 69 305.488 4 ↓
Hi High (pH 8-9.5) -0.19 1.22 -39.6 3 5 1 68 304.48 4 ↓
Lo Low (pH 4.5-6) -0.19 3.64 -217.75 5 5 3 71 306.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.19 1.8 -105.19 4 5 2 69 305.488 4 ↓
Hi High (pH 8-9.5) -0.19 1.34 -42.79 3 5 1 68 304.48 4 ↓
Lo Low (pH 4.5-6) -0.19 3.49 -220.36 5 5 3 71 306.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.63 -117.65 3 4 2 55 304.5 5 ↓
Hi High (pH 8-9.5) 1.90 4.79 -44.15 2 4 1 51 303.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.59 -116.24 3 4 2 55 304.5 5 ↓
Hi High (pH 8-9.5) 1.90 4.48 -42.05 2 4 1 51 303.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.67 -116.46 3 4 2 55 304.5 5 ↓
Hi High (pH 8-9.5) 1.90 4.91 -40.04 2 4 1 51 303.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 5.54 -116.36 3 4 2 55 304.5 5 ↓
Hi High (pH 8-9.5) 1.90 4.65 -44.89 2 4 1 51 303.492 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.40 4.88 -116.14 3 4 2 55 290.473 4 ↓
Hi High (pH 8-9.5) 1.40 4.04 -43.41 2 4 1 51 289.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.40 4.85 -114.68 3 4 2 55 290.473 4 ↓
Hi High (pH 8-9.5) 1.40 3.75 -41.3 2 4 1 51 289.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.40 4.93 -114.94 3 4 2 55 290.473 4 ↓
Hi High (pH 8-9.5) 1.40 4.16 -39.47 2 4 1 51 289.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.40 4.79 -114.85 3 4 2 55 290.473 4 ↓
Hi High (pH 8-9.5) 1.40 3.9 -44.23 2 4 1 51 289.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-(1-methyl-4-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) 1.02 4.26 -114.57 3 4 2 55 276.446 3 ↓
Hi High (pH 8-9.5) 1.02 3.2 -41.9 2 4 1 51 275.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-(1-methyl-4-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) 1.02 4.23 -115.76 3 4 2 55 276.446 3 ↓
Hi High (pH 8-9.5) 1.02 3.39 -44.38 2 4 1 51 275.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-(1-methyl-4-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) 1.02 4.23 -115.74 3 4 2 55 276.446 3 ↓
Hi High (pH 8-9.5) 1.02 3.21 -47.71 2 4 1 51 275.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-(1-methyl-4-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) 1.02 4.28 -114.51 3 4 2 55 276.446 3 ↓
Hi High (pH 8-9.5) 1.02 3.51 -40.47 2 4 1 51 275.438 3 ↓

Parameters Provided:

ring.id = 287336
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 = 287336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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