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Analogs

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Popular Name: N-[(2R)-2-(4-ethyl-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-(4-ethyl-1-piperidyl)-…

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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) 3.91 9.05 -34.53 2 2 1 20 273.444 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-ethyl-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2S)-2-(4-ethyl-1-piperidyl)-…

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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) 3.91 9.02 -34.79 2 2 1 20 273.444 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2R,3R)-2,3-dimethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(2R,3R)-2,3-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) 3.55 8.48 -34.52 2 2 1 20 273.444 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2R,3S)-2,3-dimethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(2R,3S)-2,3-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) 3.55 8.41 -36.39 2 2 1 20 273.444 5 ↓

Analogs

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Popular Name: N-[(2R)-2-phenyl-2-(4-propyl-1-piperidyl)ethyl]cyclopropanamine N-[(2R)-2-phenyl-2-(4-propyl-1-p…

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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) 4.47 9.81 -34.53 2 2 1 20 287.471 7 ↓

Analogs

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Popular Name: N-[(2S)-2-phenyl-2-(4-propyl-1-piperidyl)ethyl]cyclopropanamine N-[(2S)-2-phenyl-2-(4-propyl-1-p…

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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) 4.47 9.52 -36.2 2 2 1 20 287.471 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-methyl-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-(4-methyl-1-piperidyl)…

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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 8.39 -34.56 2 2 1 20 259.417 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-methyl-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2S)-2-(4-methyl-1-piperidyl)…

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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 8.1 -36.15 2 2 1 20 259.417 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(3S,5R)-3,5-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) 3.70 8.69 -36.5 2 2 1 20 273.444 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(3S,5S)-3,5-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) 3.70 9.05 -36.61 2 2 1 20 273.444 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(3R,5R)-3,5-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) 3.70 9.05 -37.16 2 2 1 20 273.444 5 ↓

Analogs

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Popular Name: N-[(2S)-2-phenyl-2-(1-piperidyl)ethyl]cyclopropanamine N-[(2S)-2-phenyl-2-(1-piperidyl)…

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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) 2.98 7.78 -34.72 2 2 1 20 245.39 5 ↓
Lo Low (pH 4.5-6) 2.98 9.65 -109.62 3 2 2 21 246.398 5 ↓

Analogs

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Popular Name: N-[(2R)-2-phenyl-2-(1-piperidyl)ethyl]cyclopropanamine N-[(2R)-2-phenyl-2-(1-piperidyl)…

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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) 2.98 7.54 -35.9 2 2 1 20 245.39 5 ↓
Lo Low (pH 4.5-6) 2.98 9.66 -108.87 3 2 2 21 246.398 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2R)-2-ethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(2R)-2-ethyl-1-piperi…

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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 8.04 -35.8 2 2 1 20 273.444 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2S)-2-ethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(2S)-2-ethyl-1-piperi…

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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 9.26 -36.41 2 2 1 20 273.444 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3R)-3-ethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(3R)-3-ethyl-1-piperi…

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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) 3.73 9.01 -34.36 2 2 1 20 273.444 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3S)-3-ethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(3S)-3-ethyl-1-piperi…

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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) 3.73 8.79 -36.36 2 2 1 20 273.444 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-ethoxy-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-(4-ethoxy-1-piperidyl)…

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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) 2.09 7.77 -37.43 2 3 1 29 289.443 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-ethoxy-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2S)-2-(4-ethoxy-1-piperidyl)…

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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) 2.09 7.48 -37.71 2 3 1 29 289.443 7 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2R,4R)-2,4-dimethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(2R,4R)-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) 3.55 8.55 -36.34 2 2 1 20 273.444 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2R,4S)-2,4-dimethyl-1-piperidyl]-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-[(2R,4S)-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) 3.55 8.34 -36.12 2 2 1 20 273.444 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-ethyl-4-methyl-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2R)-2-(4-ethyl-4-methyl-1-pi…

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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) 3.97 9.17 -34.74 2 2 1 20 287.471 6 ↓
Mid Mid (pH 6-8) 3.97 11.07 -113.06 3 2 2 21 288.479 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-ethyl-4-methyl-1-piperidyl)-2-phenyl-ethyl]cyclopropanamine N-[(2S)-2-(4-ethyl-4-methyl-1-pi…

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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) 3.97 8.89 -36.22 2 2 1 20 287.471 6 ↓
Mid Mid (pH 6-8) 3.97 11.05 -113.91 3 2 2 21 288.479 6 ↓

Parameters Provided:

ring.id = 223666
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 = 223666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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