UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-methyl-2-phenyl-7-(piperazine-1-carbonyl)pyrazolo[4,3-c]pyridin-3-one 5-methyl-2-phenyl-7-(piperazine-…

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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) -3.48 4.42 -106.05 3 7 2 79 339.399 2 ↓
Mid Mid (pH 6-8) -3.48 3.13 -47.99 2 7 1 74 338.391 2 ↓

Analogs

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Popular Name: 5-ethyl-2-phenyl-7-(piperazine-1-carbonyl)pyrazolo[4,3-c]pyridin-3-one 5-ethyl-2-phenyl-7-(piperazine-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) -3.11 5.29 -104.86 3 7 2 79 353.426 3 ↓
Mid Mid (pH 6-8) -3.11 4 -46.23 2 7 1 74 352.418 3 ↓

Analogs

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Popular Name: 5-isopropyl-2-phenyl-7-(piperazine-1-carbonyl)pyrazolo[4,3-c]pyridin-3-one 5-isopropyl-2-phenyl-7-(piperazi…

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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) -2.74 5.66 -101.79 3 7 2 79 367.453 3 ↓
Mid Mid (pH 6-8) -2.74 4.36 -43.87 2 7 1 74 366.445 3 ↓

Analogs

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Popular Name: 5-(2-methoxyethyl)-2-phenyl-7-(piperazine-1-carbonyl)pyrazolo[4,3-c]pyridin-3-one 5-(2-methoxyethyl)-2-phenyl-7-(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) -3.50 4.34 -105.28 3 8 2 88 383.452 5 ↓
Mid Mid (pH 6-8) -3.50 3.06 -46.34 2 8 1 84 382.444 5 ↓

Analogs

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Popular Name: 5-(3-methoxypropyl)-2-phenyl-7-(piperazine-1-carbonyl)pyrazolo[4,3-c]pyridin-3-one 5-(3-methoxypropyl)-2-phenyl-7-(…

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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) -3.23 5.12 -109.2 3 8 2 88 397.479 6 ↓
Mid Mid (pH 6-8) -3.23 3.84 -49.57 2 8 1 84 396.471 6 ↓

Parameters Provided:

ring.id = 170322
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 = 170322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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