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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-(1,3-thiazol-5-ylmethyl)cycloheptanamine N-(1,3-thiazol-5-ylmethyl)cycloh…

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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) 3.08 5.37 -41.48 2 2 1 29 211.354 3 ↓
Hi High (pH 8-9.5) 3.08 4.12 -3.4 1 2 0 25 210.346 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1R)-1-(2,4-dimethyl…

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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) 3.22 6.51 -10.93 1 3 0 49 277.437 3 ↓
Mid Mid (pH 6-8) 3.22 7.37 -45.02 2 3 1 53 278.445 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1S)-1-(2,4-dimethyl…

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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) 3.22 6.58 -7.53 1 3 0 49 277.437 3 ↓
Mid Mid (pH 6-8) 3.22 7.28 -45.24 2 3 1 53 278.445 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1R)-1-(2,4-dimethyl…

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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) 3.22 6.86 -9.2 1 3 0 49 277.437 3 ↓
Mid Mid (pH 6-8) 3.22 7.49 -40.2 2 3 1 53 278.445 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1S)-1-(2,4-dimethyl…

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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) 3.22 6.85 -8.74 1 3 0 49 277.437 3 ↓
Mid Mid (pH 6-8) 3.22 7.49 -41.53 2 3 1 53 278.445 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[(2-methylthiazol-5-yl)methylamino]cycloheptanecarbonitrile (1S,2R)-2-[(2-methylthiazol-5-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 5.34 -10.13 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.26 -48.22 2 3 1 53 250.391 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[(2-methylthiazol-5-yl)methylamino]cycloheptanecarbonitrile (1S,2S)-2-[(2-methylthiazol-5-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 5.7 -9.12 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.5 -44.74 2 3 1 53 250.391 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[(2-methylthiazol-5-yl)methylamino]cycloheptanecarbonitrile (1R,2R)-2-[(2-methylthiazol-5-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 5.19 -8.36 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.5 -44.98 2 3 1 53 250.391 3 ↓

Analogs

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Popular Name: (1R,2S)-2-[(2-methylthiazol-5-yl)methylamino]cycloheptanecarbonitrile (1R,2S)-2-[(2-methylthiazol-5-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 5.38 -9.48 1 3 0 49 249.383 3 ↓
Mid Mid (pH 6-8) 2.44 6.26 -48.07 2 3 1 53 250.391 3 ↓

Analogs

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

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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 7.08 -38.71 2 2 1 29 253.435 3 ↓
Hi High (pH 8-9.5) 3.57 6.02 -4.47 1 2 0 25 252.427 3 ↓

Analogs

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

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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 7.11 -37.99 2 2 1 29 253.435 3 ↓
Hi High (pH 8-9.5) 3.57 6.11 -3.62 1 2 0 25 252.427 3 ↓

Analogs

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Popular Name: 5-[(cycloheptylamino)methyl]-N,N-diethyl-thiazol-2-amine 5-[(cycloheptylamino)methyl]-N,N…

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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) 4.05 9 -39.24 2 3 1 33 282.477 6 ↓
Hi High (pH 8-9.5) 4.05 7.75 -4.62 1 3 0 28 281.469 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]cycloheptanamine N-[(1R)-1-(4-methylthiazol-5-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) 3.86 6.34 -39.01 2 2 1 29 239.408 3 ↓
Hi High (pH 8-9.5) 3.86 5.28 -4.03 1 2 0 25 238.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]cycloheptanamine N-[(1S)-1-(4-methylthiazol-5-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) 3.86 6.38 -38.96 2 2 1 29 239.408 3 ↓
Hi High (pH 8-9.5) 3.86 5.34 -3.43 1 2 0 25 238.4 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]cycloheptanamine N-[(1R)-1-(2-tert-butyl-4-methyl…

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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) 5.30 8.93 -38.22 2 2 1 29 295.516 4 ↓
Hi High (pH 8-9.5) 5.30 7.88 -4.09 1 2 0 25 294.508 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]cycloheptanamine N-[(1S)-1-(2-tert-butyl-4-methyl…

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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) 5.30 8.97 -38.22 2 2 1 29 295.516 4 ↓
Hi High (pH 8-9.5) 5.30 7.93 -3.39 1 2 0 25 294.508 4 ↓

Parameters Provided:

ring.id = 153578
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 153578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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