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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

27977679
27977679
28224810
28224810

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-tetrazol-1-ylacetyl)piperazine 1-(1H-tetrazol-1-ylacetyl)pipera…

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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) -2.03 0.15 -22.84 1 7 0 76 196.214 2 ↓

Analogs

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Popular Name: 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-(tetrazol-1-yl)ethanone 1-[(2S,6R)-2,6-dimethylpiperazin…

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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) -1.37 2.31 -65.92 2 7 1 81 225.276 2 ↓
Mid Mid (pH 6-8) -1.37 0.99 -19.69 1 7 0 76 224.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylpiperazin-1-yl]-2-(tetrazol-1-yl)ethanone 1-[(2S,6S)-2,6-dimethylpiperazin…

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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) -1.37 2.87 -64.88 2 7 1 81 225.276 2 ↓
Mid Mid (pH 6-8) -1.37 1.55 -20.01 1 7 0 76 224.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylpiperazin-1-yl]-2-(tetrazol-1-yl)ethanone 1-[(2R,6R)-2,6-dimethylpiperazin…

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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) -1.37 2.91 -66.42 2 7 1 81 225.276 2 ↓
Mid Mid (pH 6-8) -1.37 1.57 -19.9 1 7 0 76 224.268 2 ↓

Analogs

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Popular Name: 1-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone 1-[4-[(2S)-2-hydroxy-3,3-dimethy…

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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) -0.38 1.73 -21.76 1 8 0 87 296.375 5 ↓
Mid Mid (pH 6-8) -0.38 3.92 -62.73 2 8 1 89 297.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone 1-[4-[(2R)-2-hydroxy-3,3-dimethy…

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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) -0.38 1.66 -23.05 1 8 0 87 296.375 5 ↓
Mid Mid (pH 6-8) -0.38 3.9 -64.64 2 8 1 89 297.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethyltetrazol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone 2-(5-ethyltetrazol-1-yl)-1-(4-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) -1.40 0.91 -27.2 0 9 0 101 302.36 4 ↓

Parameters Provided:

ring.id = 113530
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 = 113530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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