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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (R)-2-furyl(quinoxalin-6-yl)methanamine (R)-2-furyl(quinoxalin-6-yl)meth…

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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) 1.93 2.79 -51.34 3 4 1 67 226.259 2 ↓
Mid Mid (pH 6-8) 1.93 2.46 -9.01 2 4 0 65 225.251 2 ↓

Analogs

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Popular Name: (S)-2-furyl(quinoxalin-6-yl)methanamine (S)-2-furyl(quinoxalin-6-yl)meth…

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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) 1.93 2.79 -51.29 3 4 1 67 226.259 2 ↓
Mid Mid (pH 6-8) 1.93 2.46 -9.24 2 4 0 65 225.251 2 ↓

Analogs

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

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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) 2.30 4.52 -44.82 2 4 1 56 240.286 3 ↓
Mid Mid (pH 6-8) 2.30 3.35 -8.69 1 4 0 51 239.278 3 ↓

Analogs

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

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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) 2.30 4.63 -45.23 2 4 1 56 240.286 3 ↓
Mid Mid (pH 6-8) 2.30 3.37 -8.51 1 4 0 51 239.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl(quinoxalin-6-yl)methyl]ethanamine N-[(S)-2-furyl(quinoxalin-6-yl)m…

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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) 2.68 5.47 -43.26 2 4 1 56 254.313 4 ↓
Hi High (pH 8-9.5) 2.68 4.34 -8.51 1 4 0 51 253.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl(quinoxalin-6-yl)methyl]ethanamine N-[(R)-2-furyl(quinoxalin-6-yl)m…

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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) 2.68 5.48 -43.26 2 4 1 56 254.313 4 ↓
Hi High (pH 8-9.5) 2.68 4.39 -8.45 1 4 0 51 253.305 4 ↓

Analogs

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

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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 6.22 -43.96 2 4 1 56 268.34 5 ↓
Hi High (pH 8-9.5) 3.18 5.09 -8.43 1 4 0 51 267.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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 6.23 -43.95 2 4 1 56 268.34 5 ↓
Hi High (pH 8-9.5) 3.18 5.13 -8.3 1 4 0 51 267.332 5 ↓

Parameters Provided:

ring.id = 214844
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 = 214844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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