UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(cyclopentoxy)-1-naphthyl]methanamine [2-(cyclopentoxy)-1-naphthyl]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) 3.69 6.89 -40.2 3 2 1 37 242.342 3 ↓
Hi High (pH 8-9.5) 3.69 6.49 -4.5 2 2 0 35 241.334 3 ↓

Analogs

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Popular Name: 1-[2-(cyclopentoxy)-1-naphthyl]-N-methyl-methanamine 1-[2-(cyclopentoxy)-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) 4.06 8.77 -35.22 2 2 1 26 256.369 4 ↓
Hi High (pH 8-9.5) 4.06 7.33 -4.71 1 2 0 21 255.361 4 ↓

Analogs

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Popular Name: N-[[2-(cyclopentoxy)-1-naphthyl]methyl]ethanamine N-[[2-(cyclopentoxy)-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) 4.44 9.63 -34.02 2 2 1 26 270.396 5 ↓

Analogs

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Popular Name: N-[[2-(cyclopentoxy)-1-naphthyl]methyl]propan-1-amine N-[[2-(cyclopentoxy)-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) 4.94 10.38 -34.71 2 2 1 26 284.423 6 ↓

Analogs

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Popular Name: N-[[2-(cyclopentoxy)-1-naphthyl]methyl]propan-2-amine N-[[2-(cyclopentoxy)-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) 4.74 10.15 -32.14 2 2 1 26 284.423 5 ↓

Analogs

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Popular Name: 2-(cyclopentoxy)naphthalene-1-carbaldehyde 2-(cyclopentoxy)naphthalene-1-ca…

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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) 4.30 9.83 -9.75 0 2 0 26 240.302 3 ↓

Analogs

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Popular Name: 1-(chloromethyl)-2-(cyclopentoxy)naphthalene 1-(chloromethyl)-2-(cyclopentoxy…

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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) 5.08 10.18 -4.93 0 1 0 9 260.764 3 ↓

Analogs

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Popular Name: [2-(cyclopentoxy)-1-naphthyl]methanol [2-(cyclopentoxy)-1-naphthyl]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) 3.84 6.22 -7.43 1 2 0 29 242.318 3 ↓

Analogs

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Popular Name: 1-(bromomethyl)-2-(cyclopentoxy)naphthalene 1-(bromomethyl)-2-(cyclopentoxy)…

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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) 5.21 10.29 -4.63 0 1 0 9 305.215 3 ↓

Analogs

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Popular Name: (E)-3-[2-(cyclopentoxy)-1-naphthyl]prop-2-enoic (E)-3-[2-(cyclopentoxy)-1-naphth…

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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) 4.30 10.97 -59.96 0 3 -1 49 281.331 4 ↓

Analogs

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Popular Name: 2-[2-(cyclopentoxy)-1-naphthyl]ethanamine 2-[2-(cyclopentoxy)-1-naphthyl]e…

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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) 3.49 7.68 -44.04 3 2 1 37 256.369 4 ↓

Analogs

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Popular Name: (2S)-1-[2-(cyclopentoxy)-1-naphthyl]propan-2-amine (2S)-1-[2-(cyclopentoxy)-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) 3.89 8.55 -37.46 3 2 1 37 270.396 4 ↓

Analogs

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Popular Name: (2R)-1-[2-(cyclopentoxy)-1-naphthyl]propan-2-amine (2R)-1-[2-(cyclopentoxy)-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) 3.89 8.68 -37.07 3 2 1 37 270.396 4 ↓

Analogs

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Popular Name: (2S)-1-[2-(cyclopentoxy)-1-naphthyl]butan-2-amine (2S)-1-[2-(cyclopentoxy)-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) 4.43 9.36 -37.13 3 2 1 37 284.423 5 ↓

Analogs

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Popular Name: (2R)-1-[2-(cyclopentoxy)-1-naphthyl]butan-2-amine (2R)-1-[2-(cyclopentoxy)-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) 4.43 9.49 -36.67 3 2 1 37 284.423 5 ↓

Analogs

42477767
42477767

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Popular Name: 3-[6-(cyclopentoxy)-2-naphthyl]prop-2-yn-1-ol 3-[6-(cyclopentoxy)-2-naphthyl]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) 4.12 7.76 -8.34 1 2 0 29 266.34 2 ↓

Analogs

42477822
42477822
42477826
42477826

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Popular Name: 4-[6-(cyclopentoxy)-2-naphthyl]but-3-yn-1-ol 4-[6-(cyclopentoxy)-2-naphthyl]b…

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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) 4.39 8.54 -6.62 1 2 0 29 280.367 3 ↓

Analogs

42477879
42477879
42477881
42477881

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Popular Name: 3-[6-(cyclopentoxy)-2-naphthyl]prop-2-yn-1-amine 3-[6-(cyclopentoxy)-2-naphthyl]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) 3.56 8.47 -49.96 3 2 1 37 266.364 2 ↓
Hi High (pH 8-9.5) 3.56 8.07 -6.12 2 2 0 35 265.356 2 ↓

Parameters Provided:

ring.id = 19645
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 = 19645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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