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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-[[cyclohexyl(ethyl)amino]methyl]cycloheptanone (2S)-2-[[cyclohexyl(ethyl)amino]…

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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) 4.08 9.83 -32.84 1 2 1 22 252.422 4 ↓
Hi High (pH 8-9.5) 4.08 8 -4.61 0 2 0 20 251.414 4 ↓

Analogs

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

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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) 4.08 9.58 -33.74 1 2 1 22 252.422 4 ↓
Hi High (pH 8-9.5) 4.08 7.53 -3.02 0 2 0 20 251.414 4 ↓

Analogs

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Popular Name: (2S)-2-[[cyclohexyl(methyl)amino]methyl]cycloheptanone (2S)-2-[[cyclohexyl(methyl)amino…

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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) 3.71 9.44 -34.82 1 2 1 22 238.395 3 ↓
Hi High (pH 8-9.5) 3.71 7.15 -5.02 0 2 0 20 237.387 3 ↓

Analogs

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

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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) 3.71 9.2 -34.38 1 2 1 22 238.395 3 ↓
Hi High (pH 8-9.5) 3.71 7.1 -4.72 0 2 0 20 237.387 3 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-[(1S,3R)-3-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1S,3R)-3-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) 3.71 10.05 -35.32 1 2 1 22 252.422 3 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-[(1S,3S)-3-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1S,3S)-3-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) 3.71 9.82 -34.95 1 2 1 22 252.422 3 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-[(1R,3R)-3-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1R,3R)-3-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) 3.71 9.81 -35.08 1 2 1 22 252.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[methyl-[(1R,3S)-3-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1R,3S)-3-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) 3.71 10.04 -35.38 1 2 1 22 252.422 3 ↓

Analogs

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Popular Name: (2S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]cycloheptanone (2S)-2-[[cyclohexyl(2-hydroxyeth…

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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) 3.07 6.23 -33.59 2 3 1 42 268.421 5 ↓
Hi High (pH 8-9.5) 3.07 4.73 -5.54 1 3 0 41 267.413 5 ↓

Analogs

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Popular Name: (2R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]cycloheptanone (2R)-2-[[cyclohexyl(2-hydroxyeth…

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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) 3.07 6.31 -31.73 2 3 1 42 268.421 5 ↓
Hi High (pH 8-9.5) 3.07 4.94 -5.95 1 3 0 41 267.413 5 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-[(1S,2R)-2-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1S,2R)-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) 3.95 9.9 -34.65 1 2 1 22 252.422 3 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-[(1S,2S)-2-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1S,2S)-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) 3.95 9.82 -34.04 1 2 1 22 252.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[methyl-[(1R,2R)-2-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1R,2R)-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) 3.95 9.87 -33.93 1 2 1 22 252.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cycloheptanone (2S)-2-[[methyl-[(1R,2S)-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) 3.95 9.86 -34.56 1 2 1 22 252.422 3 ↓

Analogs

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Popular Name: (2S)-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cycloheptanone (2S)-2-[[methyl-(4-methylcyclohe…

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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) 3.48 9.59 -35.06 1 2 1 22 252.422 3 ↓

Analogs

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Popular Name: (2R)-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cycloheptanone (2R)-2-[[methyl-(4-methylcyclohe…

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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) 3.48 9.59 -35.01 1 2 1 22 252.422 3 ↓

Analogs

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Popular Name: (2S)-2-[[(4-ethylcyclohexyl)-methyl-amino]methyl]cycloheptanone (2S)-2-[[(4-ethylcyclohexyl)-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) 4.16 10.2 -35.48 1 2 1 22 266.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(4-ethylcyclohexyl)-methyl-amino]methyl]cycloheptanone (2R)-2-[[(4-ethylcyclohexyl)-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) 4.16 10.46 -35.13 1 2 1 22 266.449 4 ↓

Parameters Provided:

ring.id = 115088
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 = 115088 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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