UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-tert-butyl-1-[(1-isopropylpyrazol-3-yl)methyl]triazole-4-carboxylic 5-tert-butyl-1-[(1-isopropylpyra…

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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) 2.63 5.85 -61.22 0 7 -1 89 290.347 5 ↓

Analogs

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Popular Name: 5-isopropyl-1-[(1-isopropylpyrazol-3-yl)methyl]triazole-4-carboxylic 5-isopropyl-1-[(1-isopropylpyraz…

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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) 1.97 5.86 -55.4 0 7 -1 89 276.32 5 ↓

Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]-5-propyl-triazole-4-carboxylic 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 1.98 6.36 -58.36 0 7 -1 89 276.32 6 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(1-isopropylpyrazol-3-yl)methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(1-isoprop…

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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) 1.56 4.79 -12.64 0 6 0 66 287.245 5 ↓

Analogs

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Popular Name: 1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]triazole-4-carboxylic 1-[[1-[(1R)-1-methylpropyl]pyraz…

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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) 1.19 5.03 -57.98 0 7 -1 89 248.266 5 ↓

Analogs

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Popular Name: 1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]triazole-4-carboxylic 1-[[1-[(1S)-1-methylpropyl]pyraz…

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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) 1.19 5.02 -57.43 0 7 -1 89 248.266 5 ↓

Analogs

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Popular Name: 5-ethyl-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]triazole-4-carboxylic 5-ethyl-1-[[1-[(1S)-1-methylprop…

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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) 1.98 6.22 -57.59 0 7 -1 89 276.32 6 ↓

Analogs

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Popular Name: 5-ethyl-1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]triazole-4-carboxylic 5-ethyl-1-[[1-[(1R)-1-methylprop…

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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) 1.98 6.22 -58.29 0 7 -1 89 276.32 6 ↓

Analogs

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Popular Name: 5-ethyl-1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]triazole-4-carboxylic 5-ethyl-1-[[1-(1-ethylpropyl)pyr…

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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) 2.49 6.94 -57.94 0 7 -1 89 290.347 7 ↓

Analogs

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Popular Name: 5-isopropyl-1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]triazole-4-carboxylic 5-isopropyl-1-[[1-[(1R)-1-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) 2.47 6.2 -61.73 0 7 -1 89 290.347 6 ↓

Analogs

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Popular Name: 5-isopropyl-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]triazole-4-carboxylic 5-isopropyl-1-[[1-[(1S)-1-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) 2.47 6.18 -61.17 0 7 -1 89 290.347 6 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-5-methyl-triazole-4-carboxylic 1-[[1-(1-ethylpropyl)pyrazol-3-y…

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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) 1.91 6.18 -59.87 0 7 -1 89 276.32 6 ↓

Analogs

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Popular Name: 1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]-5-propyl-triazole-4-carboxylic 1-[[1-[(1S)-1-methylpropyl]pyraz…

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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) 2.49 6.99 -57.95 0 7 -1 89 290.347 7 ↓

Analogs

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Popular Name: 1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]-5-propyl-triazole-4-carboxylic 1-[[1-[(1R)-1-methylpropyl]pyraz…

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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) 2.49 6.99 -58.69 0 7 -1 89 290.347 7 ↓

Analogs

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Popular Name: 2-[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]triazol-4-yl]propan-2-amine 2-[1-[[1-(1-ethylpropyl)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) 2.31 4.47 -50.1 3 6 1 76 277.396 6 ↓
Hi High (pH 8-9.5) 2.31 4.22 -11.77 2 6 0 75 276.388 6 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[[1-[(1R)-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) 2.06 5.42 -12.66 0 6 0 66 301.272 6 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[[1-[(1S)-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) 2.06 5.4 -12.42 0 6 0 66 301.272 6 ↓

Parameters Provided:

ring.id = 513708
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 = 513708 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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