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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 1-[1-(2-indazol-1-ylethyl)triazol-4-yl]-N-methyl-methanamine 1-[1-(2-indazol-1-ylethyl)triazo…

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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) 1.03 4.94 -44.59 2 6 1 65 257.321 5 ↓
Hi High (pH 8-9.5) 1.03 3.49 -9.55 1 6 0 61 256.313 5 ↓

Analogs

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Popular Name: N-[[1-(2-indazol-1-ylethyl)triazol-4-yl]methyl]ethanamine N-[[1-(2-indazol-1-ylethyl)triaz…

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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) 1.41 5.8 -43.79 2 6 1 65 271.348 6 ↓
Hi High (pH 8-9.5) 1.41 4.42 -9.43 1 6 0 61 270.34 6 ↓

Analogs

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Popular Name: N-[[1-(2-indazol-1-ylethyl)triazol-4-yl]methyl]propan-1-amine N-[[1-(2-indazol-1-ylethyl)triaz…

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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 6.56 -44.58 2 6 1 65 285.375 7 ↓

Analogs

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Popular Name: N-[[1-(2-indazol-1-ylethyl)triazol-4-yl]methyl]propan-2-amine N-[[1-(2-indazol-1-ylethyl)triaz…

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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) 1.70 6.33 -42.62 2 6 1 65 285.375 6 ↓
Hi High (pH 8-9.5) 1.70 5.13 -9.15 1 6 0 61 284.367 6 ↓

Analogs

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Popular Name: [1-(2-indazol-1-ylethyl)triazol-4-yl]methanamine [1-(2-indazol-1-ylethyl)triazol-…

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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) 0.66 3.07 -52.13 3 6 1 76 243.294 4 ↓
Hi High (pH 8-9.5) 0.66 2.67 -11.38 2 6 0 75 242.286 4 ↓

Parameters Provided:

ring.id = 260047
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 = 260047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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