UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-hydroxyethyl)-5-[2-(2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic 1-(2-hydroxyethyl)-5-[2-(2-metho…

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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) 0.71 4.66 -56.26 1 8 -1 108 358.374 6 ↓

Analogs

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Popular Name: 5-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3 5-[(2R)-2-(dimethylamino)-2-(2-f…

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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) 1.63 6.75 -57.13 0 7 -1 82 373.408 5 ↓
Lo Low (pH 4.5-6) 1.63 9.52 -68.52 1 7 0 83 374.416 5 ↓

Analogs

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Popular Name: 5-[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-1-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3 5-[(2S)-2-(dimethylamino)-2-(2-f…

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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) 1.63 8.08 -55.69 0 7 -1 82 373.408 5 ↓
Lo Low (pH 4.5-6) 1.63 9.5 -64.99 1 7 0 83 374.416 5 ↓

Analogs

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Popular Name: 5-[2-(3-chloro-4-hydroxy-phenyl)acetyl]-1-isobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxyl 5-[2-(3-chloro-4-hydroxy-phenyl)…

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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) 2.84 7.93 -54.85 1 7 -1 98 390.847 5 ↓
Hi High (pH 8-9.5) 2.84 8.7 -104.98 0 7 -2 101 389.839 5 ↓

Parameters Provided:

ring.id = 583871
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 = 583871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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