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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44616430
44616430
44616433
44616433
44907743
44907743
48325590
48325590

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Popular Name: (2R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-(3,6-dioxo-1H-pyridazi…

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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) -2.43 0.66 -123.72 0 8 -2 118 265.225 3 ↓
Lo Low (pH 4.5-6) -2.43 -0.06 -67.24 1 8 -1 116 266.233 3 ↓

Analogs

44616430
44616430
44616433
44616433
44907743
44907743
48325590
48325590

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-(3,6-dioxo-1H-pyridazi…

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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) -2.43 0.74 -120.86 0 8 -2 118 265.225 3 ↓
Lo Low (pH 4.5-6) -2.43 0.02 -71.73 1 8 -1 116 266.233 3 ↓

Analogs

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Popular Name: (3S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(3,6-dioxo-1H-pyridazi…

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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) -0.61 0.73 -105.57 0 8 -2 118 279.252 3 ↓
Lo Low (pH 4.5-6) -0.61 0.01 -59.25 1 8 -1 116 280.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-(3,6-dioxo-1H-pyridazi…

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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) -0.61 0.8 -110.29 0 8 -2 118 279.252 3 ↓
Lo Low (pH 4.5-6) -0.61 0.08 -65.97 1 8 -1 116 280.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-(3,6-dioxo-1H-pyridazi…

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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) -0.28 1.39 -99.51 0 8 -2 118 293.279 4 ↓
Lo Low (pH 4.5-6) -0.28 0.67 -53.77 1 8 -1 116 294.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-(3,6-dioxo-1H-pyridazi…

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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) -0.28 1.3 -109.85 0 8 -2 118 293.279 4 ↓
Lo Low (pH 4.5-6) -0.28 0.58 -65.21 1 8 -1 116 294.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[2-(3,6-dioxo-…

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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) -1.52 -0.89 -99.51 3 9 0 126 337.38 5 ↓
Hi High (pH 8-9.5) -1.52 -1.18 -60.48 2 9 -1 125 336.372 5 ↓
Lo Low (pH 4.5-6) -1.52 -1.61 -77.41 4 9 1 123 338.388 5 ↓

Analogs

42433841
42433841

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Popular Name: 2-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-1H-pyridazine-3,6-dione 2-[2-[(2R)-2-(hydroxymethyl)pyrr…

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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) -0.85 -2.7 -50.88 1 7 -1 98 252.25 3 ↓
Lo Low (pH 4.5-6) -0.85 -3.42 -15.85 2 7 0 96 253.258 3 ↓

Analogs

42433840
42433840

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-1H-pyridazine-3,6-dione 2-[2-[(2S)-2-(hydroxymethyl)pyrr…

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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) -0.85 -2.71 -50.85 1 7 -1 98 252.25 3 ↓
Lo Low (pH 4.5-6) -0.85 -3.43 -16.47 2 7 0 96 253.258 3 ↓

Parameters Provided:

ring.id = 127661
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 = 127661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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