UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 5-(4-methoxy-1-naphthyl)furan-2-carboxylic 5-(4-methoxy-1-naphthyl)furan-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) 3.85 8.89 -55.01 0 4 -1 63 267.26 3 ↓

Analogs

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Popular Name: 1-[5-(1-naphthyl)-2-furyl]ethanone 1-[5-(1-naphthyl)-2-furyl]ethanone

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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) 4.17 9.17 -7.57 0 2 0 30 236.27 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(1-naphthyl)-2-furyl]ethanamine (1S)-1-[5-(1-naphthyl)-2-furyl]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) 2.14 7.38 -43.81 3 2 1 41 238.31 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(1-naphthyl)-2-furyl]ethanamine (1R)-1-[5-(1-naphthyl)-2-furyl]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) 2.14 7.38 -44.98 3 2 1 41 238.31 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[5-(1-naphthyl)-2-furyl]ethanamine (1S)-N-methyl-1-[5-(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) 4.39 9.09 -38.52 2 2 1 30 252.337 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[5-(1-naphthyl)-2-furyl]ethanamine (1R)-N-methyl-1-[5-(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) 4.39 9.09 -39.56 2 2 1 30 252.337 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[5-(1-naphthyl)-2-furyl]ethanamine (1S)-N-ethyl-1-[5-(1-naphthyl)-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) 4.77 9.92 -37.39 2 2 1 30 266.364 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[5-(1-naphthyl)-2-furyl]ethanamine (1R)-N-ethyl-1-[5-(1-naphthyl)-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) 4.77 9.92 -38.3 2 2 1 30 266.364 4 ↓

Analogs

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Popular Name: (1S)-1-[5-(1-naphthyl)-2-furyl]ethanol (1S)-1-[5-(1-naphthyl)-2-furyl]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) 3.84 6.98 -10.22 1 2 0 33 238.286 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(1-naphthyl)-2-furyl]ethanol (1R)-1-[5-(1-naphthyl)-2-furyl]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) 3.84 6.85 -10.26 1 2 0 33 238.286 2 ↓

Analogs

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Popular Name: 1-[5-(1-naphthyl)-2-furyl]propan-2-one 1-[5-(1-naphthyl)-2-furyl]propan…

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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) 4.00 9.99 -13.31 0 2 0 30 250.297 3 ↓

Analogs

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Popular Name: (2S)-1-[5-(1-naphthyl)-2-furyl]propan-2-amine (2S)-1-[5-(1-naphthyl)-2-furyl]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) 3.66 8.18 -40.05 3 2 1 41 252.337 3 ↓

Analogs

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Popular Name: (2R)-1-[5-(1-naphthyl)-2-furyl]propan-2-amine (2R)-1-[5-(1-naphthyl)-2-furyl]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) 3.66 8.17 -44.35 3 2 1 41 252.337 3 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-[5-(1-naphthyl)-2-furyl]propan-2-amine (2S)-N-methyl-1-[5-(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) 4.57 9.92 -35.77 2 2 1 30 266.364 4 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-[5-(1-naphthyl)-2-furyl]propan-2-amine (2R)-N-methyl-1-[5-(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) 4.57 9.9 -39.7 2 2 1 30 266.364 4 ↓

Analogs

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Popular Name: (2S)-N-ethyl-1-[5-(1-naphthyl)-2-furyl]propan-2-amine (2S)-N-ethyl-1-[5-(1-naphthyl)-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) 4.94 10.77 -34.9 2 2 1 30 280.391 5 ↓

Analogs

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Popular Name: (2R)-N-ethyl-1-[5-(1-naphthyl)-2-furyl]propan-2-amine (2R)-N-ethyl-1-[5-(1-naphthyl)-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) 4.94 10.75 -38.47 2 2 1 30 280.391 5 ↓

Analogs

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Popular Name: (2S)-1-[5-(1-naphthyl)-2-furyl]propan-2-ol (2S)-1-[5-(1-naphthyl)-2-furyl]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) 4.18 7.56 -9.68 1 2 0 33 252.313 3 ↓

Analogs

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Popular Name: (2R)-1-[5-(1-naphthyl)-2-furyl]propan-2-ol (2R)-1-[5-(1-naphthyl)-2-furyl]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) 4.18 7.57 -7.98 1 2 0 33 252.313 3 ↓

Analogs

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Popular Name: [5-(1-naphthyl)-2-furyl]methanol [5-(1-naphthyl)-2-furyl]methanol

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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) 3.61 5.96 -9.56 1 2 0 33 224.259 2 ↓

Parameters Provided:

ring.id = 32900
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 = 32900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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