UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 1-[5-(5-quinolyl)-2-furyl]ethanone 1-[5-(5-quinolyl)-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) 3.27 7.28 -8.86 0 3 0 43 237.258 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-quinolyl)-2-furyl]ethanamine (1S)-1-[5-(5-quinolyl)-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) 1.24 5.49 -47.82 3 3 1 54 239.298 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-quinolyl)-2-furyl]ethanamine (1R)-1-[5-(5-quinolyl)-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) 1.24 5.49 -49.64 3 3 1 54 239.298 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[5-(5-quinolyl)-2-furyl]ethanamine (1S)-N-methyl-1-[5-(5-quinolyl)-…

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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 7.2 -42.52 2 3 1 43 253.325 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[5-(5-quinolyl)-2-furyl]ethanamine (1R)-N-methyl-1-[5-(5-quinolyl)-…

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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 7.19 -44.04 2 3 1 43 253.325 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[5-(5-quinolyl)-2-furyl]ethanamine (1S)-N-ethyl-1-[5-(5-quinolyl)-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) 3.87 8.03 -41.46 2 3 1 43 267.352 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[5-(5-quinolyl)-2-furyl]ethanamine (1R)-N-ethyl-1-[5-(5-quinolyl)-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) 3.87 8.04 -42.88 2 3 1 43 267.352 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[5-(5-quinolyl)-2-furyl]ethyl]propan-1-amine N-[(1S)-1-[5-(5-quinolyl)-2-fury…

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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) 4.37 8.8 -42.12 2 3 1 43 281.379 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[5-(5-quinolyl)-2-furyl]ethyl]propan-1-amine N-[(1R)-1-[5-(5-quinolyl)-2-fury…

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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) 4.37 8.81 -43.58 2 3 1 43 281.379 5 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-quinolyl)-2-furyl]ethanol (1S)-1-[5-(5-quinolyl)-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) 2.94 5.09 -10.87 1 3 0 46 239.274 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-quinolyl)-2-furyl]ethanol (1R)-1-[5-(5-quinolyl)-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) 2.94 4.97 -10.7 1 3 0 46 239.274 2 ↓

Analogs

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Popular Name: 1-[5-(5-quinolyl)-2-furyl]propan-2-one 1-[5-(5-quinolyl)-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) 3.10 8.1 -14.08 0 3 0 43 251.285 3 ↓

Analogs

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Popular Name: (2S)-1-[5-(5-quinolyl)-2-furyl]propan-2-amine (2S)-1-[5-(5-quinolyl)-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) 2.76 6.29 -43.89 3 3 1 54 253.325 3 ↓

Analogs

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Popular Name: (2R)-1-[5-(5-quinolyl)-2-furyl]propan-2-amine (2R)-1-[5-(5-quinolyl)-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) 2.76 6.28 -47.98 3 3 1 54 253.325 3 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-[5-(5-quinolyl)-2-furyl]propan-2-amine (2S)-N-methyl-1-[5-(5-quinolyl)-…

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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) 3.67 8.03 -39.54 2 3 1 43 267.352 4 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-[5-(5-quinolyl)-2-furyl]propan-2-amine (2R)-N-methyl-1-[5-(5-quinolyl)-…

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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) 3.67 8.01 -43.32 2 3 1 43 267.352 4 ↓

Analogs

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Popular Name: (2S)-N-ethyl-1-[5-(5-quinolyl)-2-furyl]propan-2-amine (2S)-N-ethyl-1-[5-(5-quinolyl)-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) 4.04 8.88 -38.7 2 3 1 43 281.379 5 ↓

Analogs

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Popular Name: (2R)-N-ethyl-1-[5-(5-quinolyl)-2-furyl]propan-2-amine (2R)-N-ethyl-1-[5-(5-quinolyl)-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) 4.04 8.86 -42.11 2 3 1 43 281.379 5 ↓

Analogs

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Popular Name: (2S)-1-[5-(5-quinolyl)-2-furyl]propan-2-ol (2S)-1-[5-(5-quinolyl)-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) 3.28 5.67 -10.34 1 3 0 46 253.301 3 ↓

Analogs

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Popular Name: (2R)-1-[5-(5-quinolyl)-2-furyl]propan-2-ol (2R)-1-[5-(5-quinolyl)-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) 3.28 5.68 -8.76 1 3 0 46 253.301 3 ↓

Analogs

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Popular Name: [5-(5-quinolyl)-2-furyl]methanol [5-(5-quinolyl)-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) 2.71 4.1 -10.47 1 3 0 46 225.247 2 ↓

Parameters Provided:

ring.id = 36194
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 = 36194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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