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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: (2S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperazine-2-carboxamide (2S)-N-[[(3S)-1,1-dioxothiolan-3…

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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) -1.61 -3.3 -59.29 4 6 1 92 262.355 3 ↓
Mid Mid (pH 6-8) -1.61 -4.66 -17.48 3 6 0 87 261.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]piperazine-2-carboxamide (2S)-N-[[(3R)-1,1-dioxothiolan-3…

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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) -1.61 -3.32 -60.78 4 6 1 92 262.355 3 ↓
Mid Mid (pH 6-8) -1.61 -4.67 -18.18 3 6 0 87 261.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperazine-2-carboxamide (2R)-N-[[(3S)-1,1-dioxothiolan-3…

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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) -1.61 -3.35 -59.55 4 6 1 92 262.355 3 ↓
Mid Mid (pH 6-8) -1.61 -4.71 -17.27 3 6 0 87 261.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]piperazine-2-carboxamide (2R)-N-[[(3R)-1,1-dioxothiolan-3…

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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) -1.61 -3.37 -60.18 4 6 1 92 262.355 3 ↓
Mid Mid (pH 6-8) -1.61 -4.72 -17.94 3 6 0 87 261.347 3 ↓

Analogs

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Popular Name: (2S,5R)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-piperazine-2-carboxamide (2S,5R)-N-[[(3S)-1,1-dioxothiola…

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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) -0.93 -2.76 -55.67 4 6 1 92 276.382 3 ↓
Mid Mid (pH 6-8) -0.93 -3.9 -17.94 3 6 0 87 275.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-piperazine-2-carboxamide (2S,5S)-N-[[(3S)-1,1-dioxothiola…

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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) -0.93 -2.7 -59.7 4 6 1 92 276.382 3 ↓
Mid Mid (pH 6-8) -0.93 -3.96 -17.83 3 6 0 87 275.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-piperazine-2-carboxamide (2R,5R)-N-[[(3S)-1,1-dioxothiola…

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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) -0.93 -2.64 -60.68 4 6 1 92 276.382 3 ↓
Mid Mid (pH 6-8) -0.93 -3.91 -18.09 3 6 0 87 275.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-piperazine-2-carboxamide (2R,5S)-N-[[(3S)-1,1-dioxothiola…

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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) -0.93 -2.74 -60.58 4 6 1 92 276.382 3 ↓
Mid Mid (pH 6-8) -0.93 -4.01 -18.26 3 6 0 87 275.374 3 ↓

Parameters Provided:

ring.id = 279272
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 = 279272 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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