UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37999474
37999474

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Popular Name: N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide N-(cyclobutylmethyl)-1H-pyrazole…

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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) 0.48 2.12 -8.75 2 4 0 58 179.223 3 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide N-(cyclobutylmethyl)-3,5-dimethy…

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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) 0.93 3.19 -9.07 2 4 0 58 207.277 3 ↓

Analogs

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Popular Name: 5-chloro-N-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide 5-chloro-N-(cyclobutylmethyl)-1,…

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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) 1.58 4.31 -9.33 1 4 0 47 241.722 3 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide N-(cyclobutylmethyl)-1,5-dimethy…

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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) 0.77 3.98 -10.42 1 4 0 47 207.277 3 ↓

Analogs

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Popular Name: 1-(3-aminopropyl)-N-(cyclobutylmethyl)-N,5-dimethyl-pyrazole-4-carboxamide 1-(3-aminopropyl)-N-(cyclobutylm…

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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 4.68 -51.75 3 5 1 66 265.381 6 ↓

Analogs

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Popular Name: 5-amino-N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-carboxamide 5-amino-N-(cyclobutylmethyl)-N-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) -0.14 2.85 -11.91 3 5 0 75 208.265 3 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-carboxamide N-(cyclobutylmethyl)-N-methyl-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) 0.26 3.82 -9.63 1 4 0 49 193.25 3 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide N-(cyclobutylmethyl)-N,3,5-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) 0.70 5.24 -9.2 1 4 0 49 221.304 3 ↓

Analogs

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Popular Name: 5-amino-N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide 5-amino-N-(cyclobutylmethyl)-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) 0.09 1.17 -11.86 4 5 0 84 194.238 3 ↓

Analogs

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Popular Name: 1-tert-butyl-N-(cyclobutylmethyl)pyrazole-4-carboxamide 1-tert-butyl-N-(cyclobutylmethyl…

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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) 1.74 5.44 -8.64 1 4 0 47 235.331 4 ↓

Parameters Provided:

ring.id = 80769
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 = 80769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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