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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)-N-(2-morpholinoethyl)-1,1-dioxo-thian-3-amine (3S)-N-(2-morpholinoethyl)-1,1-d…

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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) -0.24 -0.82 -58.46 2 5 1 63 263.383 4 ↓
Mid Mid (pH 6-8) -0.24 -2.02 -12.26 1 5 0 59 262.375 4 ↓
Lo Low (pH 4.5-6) -0.24 1.44 -138.61 3 5 2 64 264.391 4 ↓

Analogs

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Popular Name: (3R)-N-(2-morpholinoethyl)-1,1-dioxo-thian-3-amine (3R)-N-(2-morpholinoethyl)-1,1-d…

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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) -0.24 -0.83 -58.46 2 5 1 63 263.383 4 ↓
Mid Mid (pH 6-8) -0.24 -2.05 -12.3 1 5 0 59 262.375 4 ↓
Lo Low (pH 4.5-6) -0.24 1.43 -138.62 3 5 2 64 264.391 4 ↓

Analogs

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Popular Name: (3R)-N-(2-methyl-2-morpholino-propyl)-1,1-dioxo-thian-3-amine (3R)-N-(2-methyl-2-morpholino-pr…

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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) 0.57 0.56 -55.18 2 5 1 63 291.437 4 ↓
Mid Mid (pH 6-8) 0.57 -0.38 -10.71 1 5 0 59 290.429 4 ↓
Lo Low (pH 4.5-6) 0.57 2.54 -137.93 3 5 2 64 292.445 4 ↓

Analogs

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Popular Name: (3S)-N-(2-methyl-2-morpholino-propyl)-1,1-dioxo-thian-3-amine (3S)-N-(2-methyl-2-morpholino-pr…

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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) 0.57 0.67 -55.34 2 5 1 63 291.437 4 ↓
Mid Mid (pH 6-8) 0.57 -0.9 -11.98 1 5 0 59 290.429 4 ↓
Lo Low (pH 4.5-6) 0.57 2.5 -135.96 3 5 2 64 292.445 4 ↓

Analogs

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Popular Name: (3R)-N-[(2S)-4-methyl-2-morpholino-pentyl]-1,1-dioxo-thian-3-amine (3R)-N-[(2S)-4-methyl-2-morpholi…

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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 1.97 -60.03 2 5 1 63 319.491 6 ↓
Hi High (pH 8-9.5) 1.40 0.92 -11.19 1 5 0 59 318.483 6 ↓
Lo Low (pH 4.5-6) 1.40 3.71 -146.45 3 5 2 64 320.499 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1.84 -57.13 2 5 1 63 319.491 6 ↓
Hi High (pH 8-9.5) 1.40 0.47 -11 1 5 0 59 318.483 6 ↓
Lo Low (pH 4.5-6) 1.40 3.94 -148.77 3 5 2 64 320.499 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1.99 -59.93 2 5 1 63 319.491 6 ↓
Hi High (pH 8-9.5) 1.40 0.94 -11.81 1 5 0 59 318.483 6 ↓
Lo Low (pH 4.5-6) 1.40 3.73 -148.03 3 5 2 64 320.499 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2R)-4-methyl-2-morpholino-pentyl]-1,1-dioxo-thian-3-amine (3S)-N-[(2R)-4-methyl-2-morpholi…

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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) 1.40 1.85 -57.55 2 5 1 63 319.491 6 ↓
Hi High (pH 8-9.5) 1.40 0.48 -12.07 1 5 0 59 318.483 6 ↓
Lo Low (pH 4.5-6) 1.40 3.91 -146.97 3 5 2 64 320.499 6 ↓

Analogs

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

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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) 0.09 0.13 -56.41 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.09 -0.67 -10.28 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.09 1.97 -133.56 3 5 2 64 278.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.09 0.42 -52.51 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.09 -1.09 -11.13 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.09 2.23 -141.02 3 5 2 64 278.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.09 0.42 -52.48 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.09 -0.57 -11.4 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.09 2.23 -141.01 3 5 2 64 278.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.09 0.41 -52.3 2 5 1 63 277.41 4 ↓
Mid Mid (pH 6-8) 0.09 -1.08 -12.1 1 5 0 59 276.402 4 ↓
Lo Low (pH 4.5-6) 0.09 2.3 -139.57 3 5 2 64 278.418 4 ↓

Parameters Provided:

ring.id = 286335
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 = 286335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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