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ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (1S)-1-cyclopropyl-2-(1-naphthyl)ethanamine (1S)-1-cyclopropyl-2-(1-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) 3.01 7.86 -39.03 3 1 1 28 212.316 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(1-naphthyl)ethanamine (1R)-1-cyclopropyl-2-(1-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) 3.01 7.87 -42.37 3 1 1 28 212.316 3 ↓

Analogs

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Popular Name: (1R)-1-[(1S,2R)-2-methylcyclopropyl]-2-(1-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) 3.62 8.37 -41.03 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1R)-1-[(1S,2S)-2-methylcyclopropyl]-2-(1-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) 3.62 8.34 -42.66 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1R)-1-[(1R,2R)-2-methylcyclopropyl]-2-(1-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) 3.62 8.54 -43.29 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1R)-1-[(1R,2S)-2-methylcyclopropyl]-2-(1-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) 3.62 8.56 -41.12 3 1 1 28 226.343 3 ↓

Analogs

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

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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) 3.92 9.2 -42.57 2 1 1 17 226.343 4 ↓

Analogs

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

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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) 3.92 9.18 -37.23 2 1 1 17 226.343 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]-2-(1-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) 4.53 9.45 -37.12 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(1-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) 4.53 9.81 -37.83 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]-2-(1-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) 4.53 9.82 -37.92 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(1-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) 4.53 9.56 -37.04 2 1 1 17 240.37 4 ↓

Analogs

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

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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) 4.29 10.32 -32.86 2 1 1 17 240.37 5 ↓

Analogs

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

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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) 4.29 10 -35.43 2 1 1 17 240.37 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(1-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) 4.90 10.8 -33.02 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[(1R,2S)-2-methylcyclopropyl]-2-(1-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) 4.90 10.43 -35.46 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(1-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) 4.90 10.98 -32.85 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropyl]-2-(1-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) 4.90 10.59 -36.16 2 1 1 17 254.397 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(1-naphthyl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(1-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) 4.80 11.11 -33.69 2 1 1 17 254.397 6 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(1-naphthyl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(1-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) 4.80 10.91 -36.93 2 1 1 17 254.397 6 ↓

Parameters Provided:

ring.id = 588200
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 = 588200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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