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Analogs

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Popular Name: (2S)-2-[[cyclobutylmethyl(methyl)amino]methyl]cyclohexanone (2S)-2-[[cyclobutylmethyl(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) 2.34 8.81 -32.42 1 2 1 22 210.341 4 ↓
Hi High (pH 8-9.5) 2.34 6.92 -4.73 0 2 0 20 209.333 4 ↓

Analogs

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Popular Name: (2R)-2-[[cyclobutylmethyl(methyl)amino]methyl]cyclohexanone (2R)-2-[[cyclobutylmethyl(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) 2.34 8.6 -37.37 1 2 1 22 210.341 4 ↓
Hi High (pH 8-9.5) 2.34 6.54 -4.03 0 2 0 20 209.333 4 ↓

Analogs

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Popular Name: (2S,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanone (2S,4R)-2-[[cyclobutylmethyl(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) 2.35 9.41 -32.81 1 2 1 22 224.368 4 ↓

Analogs

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Popular Name: (2S,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanone (2S,4S)-2-[[cyclobutylmethyl(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) 2.35 9.01 -38.37 1 2 1 22 224.368 4 ↓

Analogs

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Popular Name: (2R,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanone (2R,4R)-2-[[cyclobutylmethyl(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) 2.35 9.08 -32.21 1 2 1 22 224.368 4 ↓

Analogs

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Popular Name: (2R,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-methyl-cyclohexanone (2R,4S)-2-[[cyclobutylmethyl(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) 2.35 9.23 -37.71 1 2 1 22 224.368 4 ↓

Analogs

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Popular Name: (2S,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethyl-cyclohexanone (2S,4R)-2-[[cyclobutylmethyl(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) 3.03 9.77 -38.29 1 2 1 22 238.395 5 ↓

Analogs

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Popular Name: (2S,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethyl-cyclohexanone (2S,4S)-2-[[cyclobutylmethyl(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) 3.03 9.56 -38.7 1 2 1 22 238.395 5 ↓

Analogs

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Popular Name: (2R,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethyl-cyclohexanone (2R,4R)-2-[[cyclobutylmethyl(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) 3.03 9.66 -38.55 1 2 1 22 238.395 5 ↓

Analogs

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Popular Name: (2R,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethyl-cyclohexanone (2R,4S)-2-[[cyclobutylmethyl(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) 3.03 10.05 -33.08 1 2 1 22 238.395 5 ↓

Analogs

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Popular Name: (2S,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[cyclobutylmethyl(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) 3.59 10.53 -38.5 1 2 1 22 252.422 6 ↓

Analogs

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Popular Name: (2S,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[cyclobutylmethyl(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) 3.59 10.29 -39.12 1 2 1 22 252.422 6 ↓

Analogs

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Popular Name: (2R,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[cyclobutylmethyl(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) 3.59 10.41 -38.97 1 2 1 22 252.422 6 ↓

Analogs

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Popular Name: (2R,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[cyclobutylmethyl(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) 3.59 10.62 -38.36 1 2 1 22 252.422 6 ↓

Analogs

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Popular Name: (2S,4R)-4-tert-butyl-2-[[cyclobutylmethyl(methyl)amino]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[cyclobu…

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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) 3.67 10.81 -33.78 1 2 1 22 266.449 5 ↓

Analogs

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Popular Name: (2S,4S)-4-tert-butyl-2-[[cyclobutylmethyl(methyl)amino]methyl]cyclohexanone (2S,4S)-4-tert-butyl-2-[[cyclobu…

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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) 3.67 10.32 -39.43 1 2 1 22 266.449 5 ↓

Analogs

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Popular Name: (2R,4R)-4-tert-butyl-2-[[cyclobutylmethyl(methyl)amino]methyl]cyclohexanone (2R,4R)-4-tert-butyl-2-[[cyclobu…

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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) 3.67 10.42 -39.23 1 2 1 22 266.449 5 ↓

Analogs

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Popular Name: (2R,4S)-4-tert-butyl-2-[[cyclobutylmethyl(methyl)amino]methyl]cyclohexanone (2R,4S)-4-tert-butyl-2-[[cyclobu…

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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) 3.67 10.62 -38.99 1 2 1 22 266.449 5 ↓

Analogs

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Popular Name: (2S,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-isopropyl-cyclohexanone (2S,4R)-2-[[cyclobutylmethyl(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) 3.85 10.25 -38.62 1 2 1 22 252.422 5 ↓

Analogs

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Popular Name: (2S,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-isopropyl-cyclohexanone (2S,4S)-2-[[cyclobutylmethyl(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) 3.85 10.04 -39.01 1 2 1 22 252.422 5 ↓

Analogs

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Popular Name: (2R,4R)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-isopropyl-cyclohexanone (2R,4R)-2-[[cyclobutylmethyl(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) 3.85 10.14 -39.09 1 2 1 22 252.422 5 ↓

Analogs

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Popular Name: (2R,4S)-2-[[cyclobutylmethyl(methyl)amino]methyl]-4-isopropyl-cyclohexanone (2R,4S)-2-[[cyclobutylmethyl(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) 3.85 10.34 -38.48 1 2 1 22 252.422 5 ↓

Parameters Provided:

ring.id = 219672
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 = 219672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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