UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: N-[2-(4-ethyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]-3-methyl-thiophene-2-carboxamide N-[2-(4-ethyl-6-methyl-pyrazolo[…

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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) 1.93 5.51 -14.45 1 6 0 65 317.418 5 ↓

Analogs

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Popular Name: N-[2-(4-isopropyl-6-methyl-pyrazolo[4,3-c]pyrazol-1-yl)ethyl]thiophene-2-carboxamide N-[2-(4-isopropyl-6-methyl-pyraz…

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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) 1.92 5.54 -14.89 1 6 0 65 317.418 5 ↓

Analogs

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Popular Name: N-[2-(1-isopropyl-3-methyl-pyrazolo[4,3-c]pyrazol-4-yl)ethyl]-3-methyl-thiophene-2-carboxamide N-[2-(1-isopropyl-3-methyl-pyraz…

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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) 2.30 6.22 -14.11 1 6 0 65 331.445 5 ↓

Analogs

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Popular Name: N-[2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)ethyl]thiophene-2-carboxamide N-[2-(4,6-dimethylpyrazolo[4,3-c…

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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) 1.18 3.96 -15.37 1 6 0 65 289.364 4 ↓

Analogs

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Popular Name: N-[2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)ethyl]-3-methyl-thiophene-2-carboxamide N-[2-(1,3-dimethylpyrazolo[4,3-c…

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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) 1.56 4.64 -14.66 1 6 0 65 303.391 4 ↓

Analogs

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Popular Name: N-[2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-4-yl)ethyl]-5-methyl-thiophene-2-carboxamide N-[2-(1,3-dimethylpyrazolo[4,3-c…

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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) 1.40 4.78 -15.23 1 6 0 65 303.391 4 ↓

Parameters Provided:

ring.id = 170751
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 = 170751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=170751&filter.purchasability=annotated

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