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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-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(3R)-1-ethylpyrrolidin-…

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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) 0.80 2.55 -42.44 2 4 1 51 261.411 4 ↓
Mid Mid (pH 6-8) 0.80 3.76 -121.58 3 4 2 55 262.419 4 ↓
Mid Mid (pH 6-8) 0.80 1.28 -57.14 2 4 1 54 261.411 4 ↓

Analogs

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Popular Name: (3R)-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(3S)-1-ethylpyrrolidin-…

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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) 0.80 2.63 -42.82 2 4 1 51 261.411 4 ↓
Mid Mid (pH 6-8) 0.80 1.3 -57.52 2 4 1 54 261.411 4 ↓
Mid Mid (pH 6-8) 0.80 3.77 -121.44 3 4 2 55 262.419 4 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine (3S)-1,1-dioxo-N-[[(3S)-1-(2,2,2…

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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) 1.35 1.72 -62.18 2 4 1 54 315.381 5 ↓
Hi High (pH 8-9.5) 1.35 0.52 -12.58 1 4 0 49 314.373 5 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine (3R)-1,1-dioxo-N-[[(3S)-1-(2,2,2…

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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) 1.35 1.71 -62.21 2 4 1 54 315.381 5 ↓
Hi High (pH 8-9.5) 1.35 0.49 -12.66 1 4 0 49 314.373 5 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine (3S)-1,1-dioxo-N-[[(3R)-1-(2,2,2…

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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) 1.35 1.68 -62.48 2 4 1 54 315.381 5 ↓
Hi High (pH 8-9.5) 1.35 0.51 -12.92 1 4 0 49 314.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine (3R)-1,1-dioxo-N-[[(3R)-1-(2,2,2…

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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) 1.35 1.69 -62.36 2 4 1 54 315.381 5 ↓
Hi High (pH 8-9.5) 1.35 0.49 -13.16 1 4 0 49 314.373 5 ↓

Analogs

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Popular Name: (3R)-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(3R)-1-isopropylpyrroli…

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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) 1.09 3.05 -41.4 2 4 1 51 275.438 4 ↓
Mid Mid (pH 6-8) 1.09 1.83 -57.05 2 4 1 54 275.438 4 ↓
Mid Mid (pH 6-8) 1.09 4.24 -121.46 3 4 2 55 276.446 4 ↓

Analogs

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Popular Name: (3R)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[(3S)-1-isopropylpyrroli…

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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) 1.09 3.13 -41.73 2 4 1 51 275.438 4 ↓
Mid Mid (pH 6-8) 1.09 1.84 -57.51 2 4 1 54 275.438 4 ↓
Mid Mid (pH 6-8) 1.09 4.26 -121.43 3 4 2 55 276.446 4 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]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) -0.46 0.99 -107.64 4 5 2 69 291.461 4 ↓
Hi High (pH 8-9.5) -0.46 0.19 -41.37 3 5 1 68 290.453 4 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]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) -0.46 0.72 -103.98 4 5 2 69 291.461 4 ↓
Hi High (pH 8-9.5) -0.46 -0.06 -42.18 3 5 1 68 290.453 4 ↓

Parameters Provided:

ring.id = 286924
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 286924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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