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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: N-[4-[(cycloheptylamino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(cycloheptylamino)methyl]t…

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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) 3.04 7.82 -39.65 2 4 1 50 296.46 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]cycloheptanamine N-[(1R)-1-(2,5-dimethylthiazol-4…

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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) 3.57 7.22 -33.14 2 2 1 29 253.435 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]cycloheptanamine N-[(1S)-1-(2,5-dimethylthiazol-4…

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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) 3.57 7.44 -33.41 2 2 1 29 253.435 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[(2-methylthiazol-4-yl)methylamino]cycloheptanecarbonitrile (1S,2R)-2-[(2-methylthiazol-4-yl…

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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) 2.44 5.99 -39.81 2 3 1 53 250.391 3 ↓
Mid Mid (pH 6-8) 2.44 5.08 -10.96 1 3 0 49 249.383 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[(2-methylthiazol-4-yl)methylamino]cycloheptanecarbonitrile (1S,2S)-2-[(2-methylthiazol-4-yl…

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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) 2.44 6.23 -40.75 2 3 1 53 250.391 3 ↓
Mid Mid (pH 6-8) 2.44 5.44 -10.46 1 3 0 49 249.383 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[(2-methylthiazol-4-yl)methylamino]cycloheptanecarbonitrile (1R,2R)-2-[(2-methylthiazol-4-yl…

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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) 2.44 6.23 -38.77 2 3 1 53 250.391 3 ↓
Mid Mid (pH 6-8) 2.44 4.93 -7.73 1 3 0 49 249.383 3 ↓

Analogs

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Popular Name: (1R,2S)-2-[(2-methylthiazol-4-yl)methylamino]cycloheptanecarbonitrile (1R,2S)-2-[(2-methylthiazol-4-yl…

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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) 2.44 5.99 -45.38 2 3 1 53 250.391 3 ↓
Mid Mid (pH 6-8) 2.44 5.11 -8.5 1 3 0 49 249.383 3 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cycloheptanamine N-methyl-N-[[2-(methylaminomethy…

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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) 2.61 7.2 -90.98 3 3 2 34 269.458 5 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-methyl-cycloheptanamine N-[[2-(ethylaminomethyl)thiazol-…

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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) 2.99 8.06 -90.45 3 3 2 34 283.485 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cycloheptanamine N-methyl-N-[[2-(propylaminomethy…

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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) 3.49 8.81 -92.03 3 3 2 34 297.512 7 ↓

Analogs

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Popular Name: N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cycloheptanamine N-[[2-[(isopropylamino)methyl]th…

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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) 3.29 8.59 -89.52 3 3 2 34 297.512 6 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cycloheptanamine N-[[2-[(tert-butylamino)methyl]t…

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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) 3.80 9.01 -88.12 3 3 2 34 311.539 6 ↓

Analogs

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Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cycloheptanamine N-[[2-[(isobutylamino)methyl]thi…

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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) 3.73 9.5 -92.54 3 3 2 34 311.539 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-cycloheptanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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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) 2.24 5.32 -96.19 4 3 2 45 255.431 4 ↓
Mid Mid (pH 6-8) 2.24 4.92 -32.55 3 3 1 43 254.423 4 ↓

Analogs

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Popular Name: N-[(2-ethylthiazol-4-yl)methyl]cycloheptanamine N-[(2-ethylthiazol-4-yl)methyl]c…

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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) 3.36 6.59 -35.25 2 2 1 29 239.408 4 ↓
Hi High (pH 8-9.5) 3.36 5.43 -4.3 1 2 0 25 238.4 4 ↓

Parameters Provided:

ring.id = 8822
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 = 8822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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