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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: [(1R,2R)-2-methyl-1-(4-thiazol-2-ylpiperazin-1-yl)cyclohexyl]methanamine [(1R,2R)-2-methyl-1-(4-thiazol-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) 2.01 3.37 -47.5 3 4 1 47 295.476 3 ↓
Mid Mid (pH 6-8) 2.01 5.21 -126.95 4 4 2 48 296.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-methyl-1-(4-thiazol-2-ylpiperazin-1-yl)cyclohexyl]methanamine [(1R,2S)-2-methyl-1-(4-thiazol-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) 2.01 3.26 -48.22 3 4 1 47 295.476 3 ↓
Mid Mid (pH 6-8) 2.01 5.03 -126.22 4 4 2 48 296.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-methyl-1-(4-thiazol-2-ylpiperazin-1-yl)cyclohexyl]methanamine [(1S,2R)-2-methyl-1-(4-thiazol-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) 2.01 3.28 -48.85 3 4 1 47 295.476 3 ↓
Mid Mid (pH 6-8) 2.01 5.15 -124.88 4 4 2 48 296.484 3 ↓

Analogs

21812445
21812445

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-methyl-1-(4-thiazol-2-ylpiperazin-1-yl)cyclohexyl]methanamine [(1S,2S)-2-methyl-1-(4-thiazol-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) 2.01 3.52 -49.57 3 4 1 47 295.476 3 ↓
Mid Mid (pH 6-8) 2.01 5.36 -127.04 4 4 2 48 296.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-thiazol-2-ylpiperazin-1-yl)cyclohexanol (1S,2R)-2-(4-thiazol-2-ylpiperaz…

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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) 1.74 2.99 -6 1 4 0 40 267.398 2 ↓
Mid Mid (pH 6-8) 1.74 5.17 -37.43 2 4 1 41 268.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-thiazol-2-ylpiperazin-1-yl)cyclohexanol (1S,2S)-2-(4-thiazol-2-ylpiperaz…

Find On: PubMed — Wikipedia — Google

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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) 1.74 2.62 -5.89 1 4 0 40 267.398 2 ↓
Mid Mid (pH 6-8) 1.74 4.78 -36.62 2 4 1 41 268.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-thiazol-2-ylpiperazin-1-yl)cyclohexanol (1R,2R)-2-(4-thiazol-2-ylpiperaz…

Find On: PubMed — Wikipedia — Google

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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) 1.74 2.63 -5.93 1 4 0 40 267.398 2 ↓
Mid Mid (pH 6-8) 1.74 4.78 -36.66 2 4 1 41 268.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-thiazol-2-ylpiperazin-1-yl)cyclohexanol (1R,2S)-2-(4-thiazol-2-ylpiperaz…

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) 1.74 2.97 -6.01 1 4 0 40 267.398 2 ↓
Mid Mid (pH 6-8) 1.74 5.15 -37.46 2 4 1 41 268.406 2 ↓

Parameters Provided:

ring.id = 46665
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 = 46665 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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