UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37787612
37787612

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(3,5-dimethyl-1H-pyrazol-4-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) 0.77 3.33 -9.12 2 5 0 59 233.319 3 ↓
Mid Mid (pH 6-8) 0.77 3.45 -30.53 3 5 1 60 234.327 3 ↓

Analogs

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-pyrazol-4-amine N-[(3,5-dimethyl-1H-pyrazol-4-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) 0.32 2.44 -8.37 2 5 0 59 205.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-amine N-[(3,5-dimethyl-1H-pyrazol-4-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) 0.26 1.12 -7.57 3 5 0 69 191.238 3 ↓

Analogs

37785026
37785026
37786712
37786712
37787612
37787612

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-pyrazol-4-amine N-[(3,5-dimethyl-1H-pyrazol-4-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) 0.70 3.34 -8.11 2 5 0 59 219.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine N-[(3,5-dimethyl-1H-pyrazol-4-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) 0.70 2.05 -8.14 3 5 0 69 219.292 3 ↓
Lo Low (pH 4.5-6) 0.70 2.22 -32.18 4 5 1 71 220.3 3 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1,3,5-tri…

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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 3.56 -9.1 1 6 0 57 263.345 6 ↓
Lo Low (pH 4.5-6) 0.38 3.69 -31.99 2 6 1 58 264.353 6 ↓

Analogs

20350902
20350902
20350948
20350948

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Popular Name: 1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine 1-(2-methoxyethyl)-N-[(1-methylp…

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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) -0.07 2.64 -8.86 1 6 0 57 235.291 6 ↓

Analogs

20350934
20350934

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Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(3,5-dimethyl-1H-pyrazol-4-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) 0.31 2.34 -8.04 2 6 0 68 249.318 6 ↓

Analogs

37787588
37787588
37787594
37787594
37787612
37787612
37787698
37787698

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Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1-tert-butylpyrazol-4-yl)met…

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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 5.57 -9.11 1 5 0 48 261.373 4 ↓
Mid Mid (pH 6-8) 1.58 5.69 -29.26 2 5 1 49 262.381 4 ↓

Analogs

37787594
37787594

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Popular Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(3-isopropyl-1-methyl-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) 1.67 5.39 -9.69 1 5 0 48 261.373 4 ↓
Mid Mid (pH 6-8) 1.67 5.52 -30.86 2 5 1 49 262.381 4 ↓

Analogs

37786883
37786883
37787202
37787202

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Popular Name: 2-[4-[(1-tert-butylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide 2-[4-[(1-tert-butylpyrazol-4-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) -0.13 1.85 -17.53 3 7 0 91 276.344 6 ↓

Analogs

37787208
37787208

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Popular Name: 2-[4-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide 2-[4-[(3-isopropyl-1-methyl-pyra…

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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) -0.04 1.67 -17.6 3 7 0 91 276.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1-tert-butylpyrazol-4-yl)met…

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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) 1.12 4.66 -7.99 1 6 0 57 277.372 7 ↓

Analogs

37787594
37787594

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(3-isopropyl-1-methyl-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) 1.21 4.48 -8.6 1 6 0 57 277.372 7 ↓

Parameters Provided:

ring.id = 113922
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 = 113922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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