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

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2,5,6-trimethyl-pyridazin-3-one 4-[(3S)-3-hydroxypyrrolidine-1-c…

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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) -0.88 0.83 -18.96 1 6 0 75 251.286 1 ↓

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(2,5,6-trime…

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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) -3.10 1.64 -63.5 1 8 -1 116 294.287 2 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(2,5,6-trime…

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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) -3.10 1.64 -66.69 1 8 -1 116 294.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(2,5,6-trime…

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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) -3.10 2.25 -78.33 1 8 -1 116 294.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(2,5,6-trime…

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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) -3.10 2.25 -78.89 1 8 -1 116 294.287 2 ↓

Analogs

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Popular Name: (3R)-1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(3,4-dimethyl-6-oxo-1H-py…

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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) -0.45 3.58 -63.24 1 7 -1 106 278.288 2 ↓
Mid Mid (pH 6-8) 0.01 1.58 -105.88 0 7 -2 109 277.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(3,4-dimethyl-6-oxo-1H-py…

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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) -0.45 3.43 -70.85 1 7 -1 106 278.288 2 ↓
Mid Mid (pH 6-8) 0.01 1.64 -128.29 0 7 -2 109 277.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2,5,6-trimethyl…

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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) -0.38 5.21 -64.05 0 7 -1 95 292.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2,5,6-trimethyl…

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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) -0.38 5.06 -71.77 0 7 -1 95 292.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(3,4-dimethyl-6-oxo-1H-py…

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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) -0.11 4.03 -52.06 1 7 -1 106 292.315 3 ↓
Mid Mid (pH 6-8) 0.35 2.13 -102.76 0 7 -2 109 291.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(3,4-dimethyl-6-oxo-1H-py…

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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) -0.11 4.06 -70.47 1 7 -1 106 292.315 3 ↓
Mid Mid (pH 6-8) 0.35 2.16 -128.65 0 7 -2 109 291.307 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(3,4-dimethyl-6-oxo-1H…

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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) -0.53 3.74 -66.76 1 7 -1 106 278.288 3 ↓
Mid Mid (pH 6-8) -0.07 1.92 -116.89 0 7 -2 109 277.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(3,4-dimethyl-6-oxo-1H…

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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) -0.53 3.68 -57.9 1 7 -1 106 278.288 3 ↓
Mid Mid (pH 6-8) -0.07 1.92 -112.83 0 7 -2 109 277.28 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2,5,6-trimethyl-3-oxo…

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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) -0.46 5.36 -67.79 0 7 -1 95 292.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2,5,6-trimethyl-3-oxo-pyridazine-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2,5,6-trimethyl-3-oxo…

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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) -0.46 5.3 -58.83 0 7 -1 95 292.315 3 ↓

Analogs

42434041
42434041

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Popular Name: 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one 5-[(2R)-2-(hydroxymethyl)pyrroli…

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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) -0.68 0.07 -16.74 2 6 0 86 251.286 2 ↓
Mid Mid (pH 6-8) -0.22 -1.84 -59.94 1 6 -1 89 250.278 2 ↓

Analogs

42434040
42434040

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one 5-[(2S)-2-(hydroxymethyl)pyrroli…

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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) -0.68 0.07 -18.62 2 6 0 86 251.286 2 ↓
Mid Mid (pH 6-8) -0.22 -1.84 -57.66 1 6 -1 89 250.278 2 ↓

Parameters Provided:

ring.id = 8932
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 = 8932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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