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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: (2S)-2-[[methyl(2-thienylmethyl)amino]methyl]cycloheptanone (2S)-2-[[methyl(2-thienylmethyl)…

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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) 3.10 9.14 -37.48 1 2 1 22 252.403 4 ↓
Mid Mid (pH 6-8) 3.10 7.03 -6.68 0 2 0 20 251.395 4 ↓

Analogs

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Popular Name: (2R)-2-[[methyl(2-thienylmethyl)amino]methyl]cycloheptanone (2R)-2-[[methyl(2-thienylmethyl)…

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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) 3.10 9.13 -37.4 1 2 1 22 252.403 4 ↓
Mid Mid (pH 6-8) 3.10 6.99 -6.31 0 2 0 20 251.395 4 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1S)-1-(2-thien…

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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) 3.66 9.7 -35.27 1 2 1 22 266.43 4 ↓
Mid Mid (pH 6-8) 3.66 7.63 -5.88 0 2 0 20 265.422 4 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-[(1R)-1-(2-thienyl)ethyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1R)-1-(2-thien…

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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) 3.66 9.5 -33.57 1 2 1 22 266.43 4 ↓
Mid Mid (pH 6-8) 3.66 7.23 -5.3 0 2 0 20 265.422 4 ↓

Analogs

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Popular Name: (2S)-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]cycloheptanone (2S)-2-[[(5-chloro-2-thienyl)met…

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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) 3.90 9.78 -41.8 1 2 1 22 286.848 4 ↓
Mid Mid (pH 6-8) 3.90 7.67 -6.5 0 2 0 20 285.84 4 ↓

Analogs

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Popular Name: (2R)-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]cycloheptanone (2R)-2-[[(5-chloro-2-thienyl)met…

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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) 3.90 9.75 -41.49 1 2 1 22 286.848 4 ↓
Mid Mid (pH 6-8) 3.90 7.61 -6.33 0 2 0 20 285.84 4 ↓

Analogs

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Popular Name: (2S)-2-[[(4-bromo-2-thienyl)methyl-methyl-amino]methyl]cycloheptanone (2S)-2-[[(4-bromo-2-thienyl)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) 3.84 9.75 -40.55 1 2 1 22 331.299 4 ↓
Mid Mid (pH 6-8) 3.84 7.64 -6.44 0 2 0 20 330.291 4 ↓

Analogs

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Popular Name: (2R)-2-[[(4-bromo-2-thienyl)methyl-methyl-amino]methyl]cycloheptanone (2R)-2-[[(4-bromo-2-thienyl)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) 3.84 9.75 -40.01 1 2 1 22 331.299 4 ↓
Mid Mid (pH 6-8) 3.84 7.61 -6.29 0 2 0 20 330.291 4 ↓

Analogs

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Popular Name: (2S)-2-[[isopropyl(2-thienylmethyl)amino]methyl]cycloheptanone (2S)-2-[[isopropyl(2-thienylmeth…

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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) 3.77 10.12 -34.27 1 2 1 22 280.457 5 ↓
Mid Mid (pH 6-8) 3.77 8.25 -6.25 0 2 0 20 279.449 5 ↓

Analogs

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Popular Name: (2R)-2-[[isopropyl(2-thienylmethyl)amino]methyl]cycloheptanone (2R)-2-[[isopropyl(2-thienylmeth…

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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) 3.77 9.91 -35.2 1 2 1 22 280.457 5 ↓
Mid Mid (pH 6-8) 3.77 8.18 -5.84 0 2 0 20 279.449 5 ↓

Analogs

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Popular Name: (2S)-2-[[ethyl(2-thienylmethyl)amino]methyl]cycloheptanone (2S)-2-[[ethyl(2-thienylmethyl)a…

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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) 3.47 9.86 -37.16 1 2 1 22 266.43 5 ↓
Mid Mid (pH 6-8) 3.47 7.53 -6.47 0 2 0 20 265.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[ethyl(2-thienylmethyl)amino]methyl]cycloheptanone (2R)-2-[[ethyl(2-thienylmethyl)a…

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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) 3.47 9.32 -35.63 1 2 1 22 266.43 5 ↓
Mid Mid (pH 6-8) 3.47 7.85 -6 0 2 0 20 265.422 5 ↓

Parameters Provided:

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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 = 116107 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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