UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline 2-(1-methylpyrazol-3-yl)-[1,2,4]…

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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) 1.61 0.62 -15.62 0 6 0 60 250.265 1 ↓

Analogs

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Popular Name: 2-[1-(difluoromethyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[1-(difluoromethyl)pyrazol-3-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) 2.17 1.64 -12.28 0 6 0 60 286.245 2 ↓

Analogs

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Popular Name: 2-(4-chloro-1-ethyl-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline 2-(4-chloro-1-ethyl-pyrazol-3-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) 2.60 0.58 -14.99 0 6 0 60 298.737 2 ↓

Analogs

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Popular Name: 2-(1-ethylpyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline 2-(1-ethylpyrazol-3-yl)-[1,2,4]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) 1.99 0.67 -15.54 0 6 0 60 264.292 2 ↓

Analogs

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Popular Name: 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[1-methyl-5-(trifluoromethyl)p…

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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) 2.75 2.32 -11.03 0 6 0 60 318.262 2 ↓

Analogs

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Popular Name: 2-(1,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline 2-(1,5-dimethylpyrazol-3-yl)-[1,…

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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) 1.83 0.67 -15.48 0 6 0 60 264.292 1 ↓

Analogs

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Popular Name: 2-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline 2-(4-bromo-1,5-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) 2.57 0 -15.2 0 6 0 60 343.188 1 ↓

Parameters Provided:

ring.id = 243660
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 = 243660 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=243660&filter.purchasability=annotated

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