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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41657017
41657017

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,5-trimethylpyrazol-4-yl)thiazol-2-amine 4-(1,3,5-trimethylpyrazol-4-yl)t…

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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) 0.97 3.39 -9.27 2 4 0 57 208.29 1 ↓
Lo Low (pH 4.5-6) 0.97 3.63 -32.31 3 4 1 58 209.298 1 ↓

Analogs

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Popular Name: 4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiazol-2-amine 4-(1-ethyl-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) 1.34 4.06 -9.02 2 4 0 57 222.317 2 ↓
Lo Low (pH 4.5-6) 1.34 4.37 -32.2 3 4 1 58 223.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-dimethylpyrazol-4-yl)-2-isobutyl-thiazole 4-(1,3-dimethylpyrazol-4-yl)-2-i…

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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) 2.17 6.67 -9.52 0 3 0 31 235.356 3 ↓

Analogs

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Popular Name: [4-(1-methylpyrazol-4-yl)thiazol-2-yl]methanamine [4-(1-methylpyrazol-4-yl)thiazol…

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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) -0.17 1.12 -49.78 3 4 1 58 195.271 2 ↓
Mid Mid (pH 6-8) -0.17 0.72 -8.73 2 4 0 57 194.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1-methylpyrazol-4-yl)thiazol-2-yl]ethanamine 2-[4-(1-methylpyrazol-4-yl)thiaz…

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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) -0.37 1.87 -51.63 3 4 1 58 209.298 3 ↓

Analogs

15936730
15936730

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1,3,5-trimethylpyrazol-4-yl)thiazol-2-yl]methanamine [4-(1,3,5-trimethylpyrazol-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) 0.28 2.32 -50.48 3 4 1 58 223.325 2 ↓
Mid Mid (pH 6-8) 0.28 1.92 -9.54 2 4 0 57 222.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1,3,5-trimethylpyrazol-4-yl)thiazol-2-yl]ethanamine 2-[4-(1,3,5-trimethylpyrazol-4-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) 0.08 3.03 -52.5 3 4 1 58 237.352 3 ↓

Parameters Provided:

ring.id = 254612
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 = 254612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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