UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)acetamide 2-(4-aminopyrazol-1-yl)-N-[(3R)-…

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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) -1.35 0.12 -24.86 2 8 0 108 316.383 6 ↓

Analogs

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)acetamide 2-(4-aminopyrazol-1-yl)-N-[(3S)-…

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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) -1.35 0.14 -26.6 2 8 0 108 316.383 6 ↓

Analogs

40314914
40314914
40314916
40314916
44884192
44884192
44884194
44884194

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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) -0.89 0.45 -24.73 2 7 0 98 300.384 3 ↓

Analogs

40314914
40314914
40314916
40314916
44884192
44884192
44884194
44884194

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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) -0.89 0.47 -22.61 2 7 0 98 300.384 3 ↓

Analogs

37789545
37789545
37789546
37789546
40314920
40314920
40314922
40314922
44884197
44884197

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(3R)-…

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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) -1.33 -0.62 -25.04 2 7 0 98 272.33 3 ↓

Analogs

37789545
37789545
37789546
37789546
40314920
40314920
40314922
40314922
44884197
44884197

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide 2-(4-aminopyrazol-1-yl)-N-[(3S)-…

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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) -1.33 -0.61 -22.84 2 7 0 98 272.33 3 ↓

Analogs

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Popular Name: (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2S)-2-(3,5-dimethylpyrazol-1-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) 0.27 2.05 -21.28 1 6 0 81 299.396 3 ↓

Analogs

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Popular Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2R)-2-(3,5-dimethylpyrazol-1-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) 0.27 2.04 -20.92 1 6 0 81 299.396 3 ↓

Analogs

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Popular Name: (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2S)-2-(3,5-dimethylpyrazol-1-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) 0.27 2.01 -21.51 1 6 0 81 299.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]propanamide (2R)-2-(3,5-dimethylpyrazol-1-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) 0.27 2 -21.38 1 6 0 81 299.396 3 ↓

Analogs

41903440
41903440
44884192
44884192
44884194
44884194

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(3,5-dimethylpyrazol-1-yl)-N-[…

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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) -0.10 1.33 -20.35 1 6 0 81 285.369 3 ↓

Analogs

44884192
44884192
44884194
44884194
41903439
41903439

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Popular Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-(3,5-dimethylpyrazol-1-yl)-N-[…

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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) -0.10 1.28 -20.98 1 6 0 81 285.369 3 ↓

Parameters Provided:

ring.id = 16810
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 = 16810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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