UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(5-quinoxalin-6-yl-2-furyl)ethanone 1-(5-quinoxalin-6-yl-2-furyl)eth…

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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) 2.79 5.29 -10.92 0 4 0 56 238.246 2 ↓

Analogs

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Popular Name: (1S)-1-(5-quinoxalin-6-yl-2-furyl)ethanamine (1S)-1-(5-quinoxalin-6-yl-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) 0.75 3.53 -48.11 3 4 1 67 240.286 2 ↓

Analogs

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Popular Name: (1R)-1-(5-quinoxalin-6-yl-2-furyl)ethanamine (1R)-1-(5-quinoxalin-6-yl-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) 0.75 3.53 -48.14 3 4 1 67 240.286 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(5-quinoxalin-6-yl-2-furyl)ethanamine (1S)-N-methyl-1-(5-quinoxalin-6-…

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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) 3.00 5.24 -42.79 2 4 1 56 254.313 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(5-quinoxalin-6-yl-2-furyl)ethanamine (1R)-N-methyl-1-(5-quinoxalin-6-…

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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) 3.00 5.22 -42.79 2 4 1 56 254.313 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(5-quinoxalin-6-yl-2-furyl)ethanamine (1S)-N-ethyl-1-(5-quinoxalin-6-y…

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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) 3.38 6.07 -41.71 2 4 1 56 268.34 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(5-quinoxalin-6-yl-2-furyl)ethanamine (1R)-N-ethyl-1-(5-quinoxalin-6-y…

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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) 3.38 6.07 -41.72 2 4 1 56 268.34 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(5-quinoxalin-6-yl-2-furyl)ethyl]propan-1-amine N-[(1S)-1-(5-quinoxalin-6-yl-2-f…

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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) 3.88 6.82 -42.41 2 4 1 56 282.367 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(5-quinoxalin-6-yl-2-furyl)ethyl]propan-1-amine N-[(1R)-1-(5-quinoxalin-6-yl-2-f…

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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) 3.88 6.83 -42.4 2 4 1 56 282.367 5 ↓

Analogs

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Popular Name: (1S)-1-(5-quinoxalin-6-yl-2-furyl)ethanol (1S)-1-(5-quinoxalin-6-yl-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) 2.45 3.12 -13.69 1 4 0 59 240.262 2 ↓

Analogs

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Popular Name: (1R)-1-(5-quinoxalin-6-yl-2-furyl)ethanol (1R)-1-(5-quinoxalin-6-yl-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) 2.45 3.01 -13.64 1 4 0 59 240.262 2 ↓

Analogs

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Popular Name: 1-(5-quinoxalin-6-yl-2-furyl)propan-2-one 1-(5-quinoxalin-6-yl-2-furyl)pro…

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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) 2.61 6.14 -16.46 0 4 0 56 252.273 3 ↓

Analogs

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Popular Name: (2S)-1-(5-quinoxalin-6-yl-2-furyl)propan-2-amine (2S)-1-(5-quinoxalin-6-yl-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) 2.27 4.33 -44.33 3 4 1 67 254.313 3 ↓

Analogs

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Popular Name: (2R)-1-(5-quinoxalin-6-yl-2-furyl)propan-2-amine (2R)-1-(5-quinoxalin-6-yl-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) 2.27 4.32 -49.14 3 4 1 67 254.313 3 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-(5-quinoxalin-6-yl-2-furyl)propan-2-amine (2S)-N-methyl-1-(5-quinoxalin-6-…

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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) 3.18 6.06 -40.02 2 4 1 56 268.34 4 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-(5-quinoxalin-6-yl-2-furyl)propan-2-amine (2R)-N-methyl-1-(5-quinoxalin-6-…

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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) 3.18 6.04 -44.46 2 4 1 56 268.34 4 ↓

Analogs

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Popular Name: (2S)-N-ethyl-1-(5-quinoxalin-6-yl-2-furyl)propan-2-amine (2S)-N-ethyl-1-(5-quinoxalin-6-y…

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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 6.92 -39.2 2 4 1 56 282.367 5 ↓

Analogs

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Popular Name: (2R)-N-ethyl-1-(5-quinoxalin-6-yl-2-furyl)propan-2-amine (2R)-N-ethyl-1-(5-quinoxalin-6-y…

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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 6.9 -43.19 2 4 1 56 282.367 5 ↓

Analogs

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Popular Name: (2S)-1-(5-quinoxalin-6-yl-2-furyl)propan-2-ol (2S)-1-(5-quinoxalin-6-yl-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) 2.80 3.7 -13.01 1 4 0 59 254.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(5-quinoxalin-6-yl-2-furyl)propan-2-ol (2R)-1-(5-quinoxalin-6-yl-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) 2.80 3.72 -10.82 1 4 0 59 254.289 3 ↓

Parameters Provided:

ring.id = 36202
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 = 36202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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