UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-(2-furyl)pyrazole-3-carboxamide 1-(4-chlorophenyl)-N-(3-ethoxypr…

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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) 3.22 7.67 -9.8 1 6 0 69 373.84 8 ↓

Analogs

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Popular Name: 5-(2-furyl)-1-(2-methoxyphenyl)pyrazole-3-carboxylic 5-(2-furyl)-1-(2-methoxyphenyl)p…

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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) 2.51 7.38 -63.95 0 6 -1 80 283.263 4 ↓

Analogs

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Popular Name: 5-(5-methyl-2-furyl)-1-(o-tolyl)pyrazole-3-carboxylic 5-(5-methyl-2-furyl)-1-(o-tolyl)…

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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) 3.12 9.64 -58.68 0 5 -1 71 281.291 3 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carboxylic 1-(4-chlorophenyl)-5-(5-methyl-2…

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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) 3.19 9.24 -53.68 0 5 -1 71 301.709 3 ↓

Analogs

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Popular Name: 5-(5-methyl-2-furyl)-1-phenyl-pyrazole-3-carboxylic 5-(5-methyl-2-furyl)-1-phenyl-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) 2.51 8.72 -58.7 0 5 -1 71 267.264 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.77 8.77 -10.24 0 5 0 57 282.299 4 ↓

Analogs

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Popular Name: 5-(5-methyl-2-furyl)-1-(p-tolyl)pyrazole-3-carboxylic 5-(5-methyl-2-furyl)-1-(p-tolyl)…

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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) 2.96 9.41 -58.35 0 5 -1 71 281.291 3 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carboxylic 1-(4-fluorophenyl)-5-(5-methyl-2…

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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) 2.67 8.79 -53.55 0 5 -1 71 285.254 3 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carboxylic 1-(2-fluorophenyl)-5-(5-methyl-2…

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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) 2.84 8.86 -63.66 0 5 -1 71 285.254 3 ↓

Analogs

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Popular Name: 5-(5-methyl-2-furyl)-1-(m-tolyl)pyrazole-3-carboxylic 5-(5-methyl-2-furyl)-1-(m-tolyl)…

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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) 3.15 9.41 -58.89 0 5 -1 71 281.291 3 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carboxylic 1-(3-chlorophenyl)-5-(5-methyl-2…

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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) 3.37 9.23 -57.24 0 5 -1 71 301.709 3 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carboxylic 1-(2-chlorophenyl)-5-(5-methyl-2…

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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) 3.35 9.4 -60.6 0 5 -1 71 301.709 3 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-5-(5-methyl-2-furyl)pyrazole-3-carboxylic 1-(3-fluorophenyl)-5-(5-methyl-2…

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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) 2.86 8.79 -57.98 0 5 -1 71 285.254 3 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-N'-(2-ethoxyacetyl)-5-(2-furyl)pyrazole-3-carbohydrazide 1-(4-chlorophenyl)-N'-(2-ethoxya…

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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) 2.03 6.67 -14.13 2 8 0 98 388.811 7 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-N'-(2-ethoxyacetyl)-5-(2-furyl)pyrazole-3-carbohydrazide 1-(3-chlorophenyl)-N'-(2-ethoxya…

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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) 2.21 6.66 -15.79 2 8 0 98 388.811 7 ↓

Analogs

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Popular Name: 5-(2-furyl)-1-(4-methoxyphenyl)pyrazole-3-carboxylic 5-(2-furyl)-1-(4-methoxyphenyl)p…

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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) 2.34 7.21 -57.4 0 6 -1 80 283.263 4 ↓

Analogs

42789890
42789890

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Popular Name: N-(2-amino-2-oxo-ethyl)-1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxamide N-(2-amino-2-oxo-ethyl)-1-(3-chl…

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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) 1.50 3.06 -14.36 3 7 0 103 344.758 5 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxylic 1-(2-chlorophenyl)-5-(2-furyl)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) 3.13 8.58 -60.6 0 5 -1 71 287.682 3 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxylic 1-(2,4-dimethylphenyl)-5-(2-fury…

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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) 3.32 9.48 -58.02 0 5 -1 71 281.291 3 ↓

Parameters Provided:

ring.id = 122174
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 = 122174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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