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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-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2S,6R)-2,6-dimethylmor…

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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) 2.37 5.26 -6.19 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.37 7.33 -36.13 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2S,6S)-2,6-dimethylmor…

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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) 2.37 5.55 -5.86 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.37 7.3 -36.05 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2R,6R)-2,6-dimethylmor…

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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) 2.37 5.55 -5.7 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.37 7.3 -35.76 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-methylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2R)-2-methylmorpholin-…

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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 4.51 -6.15 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 2.01 6.59 -36.08 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-methylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2S)-2-methylmorpholin-…

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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 4.53 -6.29 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 2.01 6.61 -35.99 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(3R)-3-methylmorpholin-…

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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) 1.98 3.98 -6.23 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.98 6.12 -35.29 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3S)-3-methylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(3S)-3-methylmorpholin-…

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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) 1.98 4.38 -5.97 0 3 0 30 225.332 2 ↓
Mid Mid (pH 6-8) 1.98 6.36 -34.33 1 3 1 31 226.34 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2R,5R)-2,5-dimethylmor…

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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) 2.34 4.97 -6 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.34 6.95 -34.12 1 3 1 31 240.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S,5R)-2,5-dimethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2S,5R)-2,5-dimethylmor…

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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) 2.34 4.79 -6.13 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.34 6.86 -35.4 1 3 1 31 240.367 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-ethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2R)-2-ethylmorpholin-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) 2.51 5.35 -5.95 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.51 7.41 -36.71 1 3 1 31 240.367 3 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-2-ethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2S)-2-ethylmorpholin-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) 2.51 5.37 -6.15 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.51 7.43 -36.46 1 3 1 31 240.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloheptanone (2S)-2-[(2,2-dimethylmorpholin-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) 2.46 5.44 -5.99 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.46 7.19 -35.85 1 3 1 31 240.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2,2-dimethylmorpholin-4-yl)methyl]cycloheptanone (2R)-2-[(2,2-dimethylmorpholin-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) 2.46 5.45 -5.85 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.46 7.19 -35.67 1 3 1 31 240.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3R)-3-ethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(3R)-3-ethylmorpholin-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) 2.51 4.63 -6.16 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.51 6.73 -35.72 1 3 1 31 240.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-3-ethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(3S)-3-ethylmorpholin-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) 2.51 5.05 -5.76 0 3 0 30 239.359 3 ↓
Mid Mid (pH 6-8) 2.51 7 -34.53 1 3 1 31 240.367 3 ↓

Analogs

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Popular Name: (2S)-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(6R)-2,2,6-trimethylmor…

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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) 2.82 6.18 -5.92 0 3 0 30 253.386 2 ↓
Mid Mid (pH 6-8) 2.82 7.93 -35.48 1 3 1 31 254.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(6S)-2,2,6-trimethylmor…

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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) 2.82 6.15 -6.06 0 3 0 30 253.386 2 ↓
Mid Mid (pH 6-8) 2.82 7.93 -35.83 1 3 1 31 254.394 2 ↓

Analogs

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Popular Name: (2S)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cycloheptanone (2S)-2-[(3,3-dimethylmorpholin-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) 2.46 4.36 -5.68 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.46 6.43 -34.61 1 3 1 31 240.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,3-dimethylmorpholin-4-yl)methyl]cycloheptanone (2R)-2-[(3,3-dimethylmorpholin-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) 2.46 4.38 -5.76 0 3 0 30 239.359 2 ↓
Mid Mid (pH 6-8) 2.46 6.43 -34.59 1 3 1 31 240.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2R,5R)-5-ethyl-2-methy…

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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) 2.88 5.65 -6.16 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.88 7.45 -34.73 1 3 1 31 254.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2R,5S)-5-ethyl-2-methy…

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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) 2.88 5.8 -5.75 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.88 7.75 -34.34 1 3 1 31 254.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2S,5R)-5-ethyl-2-methy…

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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) 2.88 5.38 -6.14 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.88 7.48 -35.73 1 3 1 31 254.394 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]methyl]cycloheptanone (2S)-2-[[(2S,5S)-5-ethyl-2-methy…

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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) 2.88 6.06 -5.45 0 3 0 30 253.386 3 ↓
Mid Mid (pH 6-8) 2.88 7.72 -34.36 1 3 1 31 254.394 3 ↓

Parameters Provided:

ring.id = 115298
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 = 115298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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