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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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) 1.89 5.63 -34.15 2 4 1 52 244.318 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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) 1.89 5.94 -39.65 2 4 1 52 244.318 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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 6.74 -32.79 2 4 1 52 258.345 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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 6.92 -39.16 2 4 1 52 258.345 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]quinoxalin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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) 0.98 4.29 -44.96 3 4 1 63 230.291 3 ↓
Hi High (pH 8-9.5) 0.98 3.96 -8.32 2 4 0 61 229.283 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]quinoxalin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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) 0.98 4.53 -37.43 3 4 1 63 230.291 3 ↓
Hi High (pH 8-9.5) 0.98 4.16 -7.48 2 4 0 61 229.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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) 2.77 7.49 -33.08 2 4 1 52 272.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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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) 2.77 7.67 -39.81 2 4 1 52 272.372 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-3-methyl-quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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) 2.11 6.25 -34.08 2 4 1 52 258.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-3-methyl-quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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) 2.11 6.58 -39.5 2 4 1 52 258.345 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-3-methyl-quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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) 2.49 7.06 -33.2 2 4 1 52 272.372 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-3-methyl-quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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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) 2.49 7.41 -37.58 2 4 1 52 272.372 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]-3-methyl-quinoxalin-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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) 1.20 4.96 -36.89 3 4 1 63 244.318 3 ↓
Hi High (pH 8-9.5) 1.20 4.63 -6.65 2 4 0 61 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]-3-methyl-quinoxalin-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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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) 1.20 5.12 -44.21 3 4 1 63 244.318 3 ↓
Hi High (pH 8-9.5) 1.20 4.78 -8.79 2 4 0 61 243.31 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-3-methyl-quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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) 2.99 8.12 -32.94 2 4 1 52 286.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-3-methyl-quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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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) 2.99 8.31 -39.51 2 4 1 52 286.399 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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) 1.47 3.69 -10.79 1 4 0 55 230.267 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

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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) 1.47 4.08 -9.09 1 4 0 55 230.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-3-methyl-quinoxalin-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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) 1.70 4.59 -9 1 4 0 55 244.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-3-methyl-quinoxalin-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

Find On: PubMed — Wikipedia — Google

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) 1.70 4.55 -10.4 1 4 0 55 244.294 3 ↓

Parameters Provided:

ring.id = 269892
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 = 269892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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