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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: (2S)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide (2S)-2-[(2R)-2-(dimethylaminomet…

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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) -0.84 -0.12 -44.2 2 7 1 80 334.462 5 ↓
Hi High (pH 8-9.5) -0.84 -2.69 -17.73 1 7 0 79 333.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide (2R)-2-[(2R)-2-(dimethylaminomet…

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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) -0.84 -0.14 -48.43 2 7 1 80 334.462 5 ↓
Hi High (pH 8-9.5) -0.84 -2.7 -17.71 1 7 0 79 333.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (2S)-2-[(2R)-2-(dimethylaminomet…

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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) -0.84 -0.11 -43.49 2 7 1 80 334.462 5 ↓
Hi High (pH 8-9.5) -0.84 -2.68 -16.87 1 7 0 79 333.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (2R)-2-[(2R)-2-(dimethylaminomet…

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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) -0.84 -0.13 -47.53 2 7 1 80 334.462 5 ↓
Hi High (pH 8-9.5) -0.84 -2.69 -16.95 1 7 0 79 333.454 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-[(2R)-2-(dimethylaminomethyl)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) -0.92 1.23 -49.61 1 7 1 71 334.462 5 ↓
Hi High (pH 8-9.5) -0.92 -1.22 -19.02 0 7 0 70 333.454 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-[(2S)-2-(dimethylaminomethyl)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) -0.92 1.27 -49.19 1 7 1 71 334.462 5 ↓
Hi High (pH 8-9.5) -0.92 -1.26 -18.87 0 7 0 70 333.454 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(2R)-2-(dimethylaminomethyl)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) -0.55 2.23 -46.97 1 7 1 71 348.489 6 ↓
Hi High (pH 8-9.5) -0.55 -0.18 -17.31 0 7 0 70 347.481 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(2R)-2-(dimethylaminomethyl)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) -0.55 2.23 -48.72 1 7 1 71 348.489 6 ↓
Hi High (pH 8-9.5) -0.55 -0.19 -19.38 0 7 0 70 347.481 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-propanam (2S)-2-[(2R)-2-(dimethylaminomet…

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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) -0.59 1.46 -44.17 1 7 1 71 348.489 5 ↓
Hi High (pH 8-9.5) -0.59 -1.03 -18.8 0 7 0 70 347.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-propanam (2R)-2-[(2R)-2-(dimethylaminomet…

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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) -0.59 1.19 -48.27 1 7 1 71 348.489 5 ↓
Hi High (pH 8-9.5) -0.59 -1.28 -18.15 0 7 0 70 347.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-propanam (2S)-2-[(2R)-2-(dimethylaminomet…

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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) -0.59 1.49 -43.17 1 7 1 71 348.489 5 ↓
Hi High (pH 8-9.5) -0.59 -1 -17.35 0 7 0 70 347.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2R)-2-(dimethylaminomethyl)morpholin-4-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-propanam (2R)-2-[(2R)-2-(dimethylaminomet…

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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) -0.59 1.21 -50 1 7 1 71 348.489 5 ↓
Hi High (pH 8-9.5) -0.59 -1.23 -18.49 0 7 0 70 347.481 5 ↓

Parameters Provided:

ring.id = 289205
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 = 289205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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