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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: (1S)-2-phenyl-1-quinoxalin-6-yl-ethanamine (1S)-2-phenyl-1-quinoxalin-6-yl-…

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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) 1.00 5.47 -52.96 3 3 1 53 250.325 3 ↓
Mid Mid (pH 6-8) 1.00 5.15 -8.41 2 3 0 52 249.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-phenyl-1-quinoxalin-6-yl-ethanamine (1R)-2-phenyl-1-quinoxalin-6-yl-…

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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) 1.00 5.48 -52.92 3 3 1 53 250.325 3 ↓
Mid Mid (pH 6-8) 1.00 5.19 -8.37 2 3 0 52 249.317 3 ↓

Analogs

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

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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) 3.26 7.03 -52.79 2 3 1 42 264.352 4 ↓
Mid Mid (pH 6-8) 3.26 6.12 -7.87 1 3 0 38 263.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.26 7.2 -46.36 2 3 1 42 264.352 4 ↓
Mid Mid (pH 6-8) 3.26 6.11 -8 1 3 0 38 263.344 4 ↓

Analogs

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Popular Name: (1S)-N-ethyl-2-phenyl-1-quinoxalin-6-yl-ethanamine (1S)-N-ethyl-2-phenyl-1-quinoxal…

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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) 3.63 7.86 -51.06 2 3 1 42 278.379 5 ↓
Hi High (pH 8-9.5) 3.63 7.05 -7.71 1 3 0 38 277.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-2-phenyl-1-quinoxalin-6-yl-ethanamine (1R)-N-ethyl-2-phenyl-1-quinoxal…

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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) 3.63 8.05 -44.37 2 3 1 42 278.379 5 ↓
Hi High (pH 8-9.5) 3.63 7.05 -7.84 1 3 0 38 277.371 5 ↓

Analogs

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Popular Name: N-[(1S)-2-phenyl-1-quinoxalin-6-yl-ethyl]propan-1-amine N-[(1S)-2-phenyl-1-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) 4.13 8.61 -51.93 2 3 1 42 292.406 6 ↓
Hi High (pH 8-9.5) 4.13 7.8 -7.61 1 3 0 38 291.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.13 8.81 -45.19 2 3 1 42 292.406 6 ↓
Hi High (pH 8-9.5) 4.13 7.8 -7.7 1 3 0 38 291.398 6 ↓

Parameters Provided:

ring.id = 509701
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 = 509701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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