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

Analogs

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Popular Name: 1-[5-(indazol-1-ylmethyl)isoxazol-3-yl]-N-methyl-methanamine 1-[5-(indazol-1-ylmethyl)isoxazo…

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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) 1.81 5.36 -49.73 2 5 1 60 243.29 4 ↓
Hi High (pH 8-9.5) 1.81 3.9 -10.9 1 5 0 56 242.282 4 ↓

Analogs

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Popular Name: N-[[5-(indazol-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(indazol-1-ylmethyl)isoxaz…

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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) 2.19 6.22 -48.79 2 5 1 60 257.317 5 ↓
Hi High (pH 8-9.5) 2.19 4.84 -10.76 1 5 0 56 256.309 5 ↓

Analogs

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Popular Name: N-[[5-(indazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-1-amine N-[[5-(indazol-1-ylmethyl)isoxaz…

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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) 2.69 6.97 -49.57 2 5 1 60 271.344 6 ↓

Analogs

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Popular Name: N-[[5-(indazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine N-[[5-(indazol-1-ylmethyl)isoxaz…

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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) 2.48 6.74 -47.33 2 5 1 60 271.344 5 ↓
Hi High (pH 8-9.5) 2.48 5.54 -10.61 1 5 0 56 270.336 5 ↓

Analogs

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Popular Name: N-[[5-(indazol-1-ylmethyl)isoxazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[5-(indazol-1-ylmethyl)isoxaz…

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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) 3.00 7.17 -44.9 2 5 1 60 285.371 5 ↓
Hi High (pH 8-9.5) 3.00 5.93 -10.47 1 5 0 56 284.363 5 ↓

Analogs

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Popular Name: N-[[5-(indazol-1-ylmethyl)isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-(indazol-1-ylmethyl)isoxaz…

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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) 2.93 7.66 -49.78 2 5 1 60 285.371 6 ↓

Analogs

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Popular Name: [5-(indazol-1-ylmethyl)isoxazol-3-yl]methanamine [5-(indazol-1-ylmethyl)isoxazol-…

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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) 1.44 3.48 -50.58 3 5 1 72 229.263 3 ↓
Hi High (pH 8-9.5) 1.44 3.08 -9.41 2 5 0 70 228.255 3 ↓

Analogs

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Popular Name: 1-(isoxazol-5-ylmethyl)indazole-3-carboxylic 1-(isoxazol-5-ylmethyl)indazole-…

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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) 1.82 6.14 -56.93 0 6 -1 84 242.214 3 ↓

Analogs

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Popular Name: 1-[(3-methylisoxazol-5-yl)methyl]indazole-3-carboxylic 1-[(3-methylisoxazol-5-yl)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) 2.04 6.73 -67.41 0 6 -1 84 256.241 3 ↓

Parameters Provided:

ring.id = 260042
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 = 260042 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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