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Popular Name: (1S)-1-cyclopropyl-2-(2-naphthyl)ethanamine (1S)-1-cyclopropyl-2-(2-naphthyl…

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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 7.83 -42.52 3 1 1 28 212.316 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(2-naphthyl)ethanamine (1R)-1-cyclopropyl-2-(2-naphthyl…

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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 7.83 -42.46 3 1 1 28 212.316 3 ↓

Analogs

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Popular Name: (1R)-1-[(1S,2R)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-1-[(1S,2R)-2-methylcyclopro…

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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) 3.64 8.06 -43.86 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1R)-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-1-[(1S,2S)-2-methylcyclopro…

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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) 3.64 8.5 -43.07 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1R)-1-[(1R,2R)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-1-[(1R,2R)-2-methylcyclopro…

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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) 3.64 8.7 -43.59 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1R)-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-1-[(1R,2S)-2-methylcyclopro…

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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) 3.64 8.71 -41.43 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(2-naphthyl)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(2…

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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) 3.94 9.39 -41.86 2 1 1 17 226.343 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(2-naphthyl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(2…

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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) 3.94 9.34 -37.43 2 1 1 17 226.343 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-N-methyl-1-[(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) 4.55 9.74 -38.21 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-N-methyl-1-[(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) 4.55 9.94 -38.08 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-N-methyl-1-[(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) 4.55 9.98 -38.22 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-N-methyl-1-[(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) 4.55 9.87 -37.97 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(2-naphthyl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(2-…

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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) 4.32 10.16 -36.52 2 1 1 17 240.37 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(2-naphthyl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(2-…

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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) 4.32 10.32 -36.52 2 1 1 17 240.37 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1S)-N-ethyl-1-[(1R,2S)-2-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) 4.93 10.6 -36.65 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-N-ethyl-1-[(1R,2S)-2-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) 4.93 10.71 -36.5 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1S)-N-ethyl-1-[(1S,2S)-2-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) 4.93 10.96 -36.9 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(2-naphthyl)ethanamine (1R)-N-ethyl-1-[(1S,2S)-2-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) 4.93 10.86 -37.01 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(2-naphthyl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(2-napht…

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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) 4.82 10.91 -37.17 2 1 1 17 254.397 6 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(2-naphthyl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(2-napht…

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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) 4.82 11.07 -37.25 2 1 1 17 254.397 6 ↓

Parameters Provided:

ring.id = 588104
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 = 588104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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