UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(dimethyl-1H-1,2,4-triazol-1-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid hydrochloride 5-(dimethyl-1H-1,2,4-triazol-1-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) -0.37 6.36 -56.78 0 7 -1 89 234.239 2 ↓

Analogs

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Popular Name: 1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[5-(3,5-dimethyl-1,2,4-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) -0.39 5.44 -39.12 2 6 1 65 235.315 3 ↓

Analogs

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Popular Name: N-[[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[5-(3,5-dimethyl-1,2,4-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) -0.01 6.43 -38.42 2 6 1 65 249.342 4 ↓

Analogs

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Popular Name: N-[[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[5-(3,5-dimethyl-1,2,4-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) 0.49 7.18 -39.06 2 6 1 65 263.369 5 ↓

Analogs

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Popular Name: N-[[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[5-(3,5-dimethyl-1,2,4-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) 0.29 6.84 -35.97 2 6 1 65 263.369 4 ↓

Analogs

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Popular Name: (E)-3-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-(3,5-dimethyl-1,2,4-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) -0.15 7.6 -48.3 0 7 -1 89 260.277 3 ↓

Parameters Provided:

ring.id = 557553
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 = 557553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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