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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-ethylthiadiazol-5-yl)-(4-methylpiperazin-1-yl)methanone (4-ethylthiadiazol-5-yl)-(4-meth…

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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) 0.89 1.83 -6.12 0 5 0 49 240.332 2 ↓
Mid Mid (pH 6-8) 0.89 4.11 -48.45 1 5 1 51 241.34 2 ↓

Analogs

36792825
36792825
4584514
4584514

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Popular Name: (4-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone (4-methylpiperazin-1-yl)-(4-meth…

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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) 0.32 1.2 -6.85 0 5 0 49 226.305 1 ↓

Analogs

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Popular Name: [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone [4-(2-hydroxyethyl)piperazin-1-y…

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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) -0.31 -1.25 -9.4 1 6 0 70 256.331 3 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(thiadiazol-5-yl)methanone [(2S,6R)-2,6-dimethylpiperazin-1…

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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) 0.16 1.31 -53.57 2 5 1 63 227.313 1 ↓
Mid Mid (pH 6-8) 0.16 0.01 -6.36 1 5 0 58 226.305 1 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(thiadiazol-5-yl)methanone [(2S,6S)-2,6-dimethylpiperazin-1…

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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) 0.16 1.95 -54.02 2 5 1 63 227.313 1 ↓
Mid Mid (pH 6-8) 0.16 0.63 -6.67 1 5 0 58 226.305 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-(thiadiazol-5-yl)methanone [(2R,6R)-2,6-dimethylpiperazin-1…

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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) 0.16 1.92 -54.05 2 5 1 63 227.313 1 ↓
Mid Mid (pH 6-8) 0.16 0.58 -7.15 1 5 0 58 226.305 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone [(2S,6R)-2,6-dimethylpiperazin-1…

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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 1.84 -53.79 2 5 1 63 241.34 1 ↓
Mid Mid (pH 6-8) 0.38 0.54 -6.3 1 5 0 58 240.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone [(2S,6S)-2,6-dimethylpiperazin-1…

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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 2.53 -53.79 2 5 1 63 241.34 1 ↓
Mid Mid (pH 6-8) 0.38 1.32 -5.95 1 5 0 58 240.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone [(2R,6R)-2,6-dimethylpiperazin-1…

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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 2.51 -53.16 2 5 1 63 241.34 1 ↓
Mid Mid (pH 6-8) 0.38 1.33 -5.99 1 5 0 58 240.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylthiadiazol-5-yl)-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone (4-ethylthiadiazol-5-yl)-[4-(2-h…

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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 1.78 -7.45 1 6 0 70 298.412 4 ↓
Lo Low (pH 4.5-6) 1.07 3.4 -46.35 2 6 1 71 299.42 4 ↓

Analogs

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Popular Name: (4-ethylthiadiazol-5-yl)-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methanone (4-ethylthiadiazol-5-yl)-[4-[(2R…

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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) 1.95 2.08 -6.57 1 6 0 70 326.466 5 ↓
Lo Low (pH 4.5-6) 1.95 4.23 -49.6 2 6 1 71 327.474 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylthiadiazol-5-yl)-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methanone (4-ethylthiadiazol-5-yl)-[4-[(2S…

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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) 1.95 2.07 -7.3 1 6 0 70 326.466 5 ↓
Lo Low (pH 4.5-6) 1.95 4.22 -50.39 2 6 1 71 327.474 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylthiadiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (4-ethylthiadiazol-5-yl)-(4-meth…

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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) 0.27 0.85 -12.95 0 7 0 83 304.397 3 ↓

Parameters Provided:

ring.id = 36561
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 = 36561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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