UCSF
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Analogs

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Popular Name: (3-isopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[2-(2-methylallyloxy)phenyl]methanone (3-isopropyl-1,4,6,7-tetrahydrop…

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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) 3.92 9.17 -14.08 1 5 0 58 339.439 5 ↓

Analogs

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Popular Name: 5-(2,6-difluoro-3-methyl-benzoyl)-1-isobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic 5-(2,6-difluoro-3-methyl-benzoyl…

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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) 2.52 9.6 -60.39 0 6 -1 78 376.383 4 ↓

Analogs

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Popular Name: 5-(3-fluoro-2-methoxy-benzoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxyli 5-(3-fluoro-2-methoxy-benzoyl)-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) 0.81 4.2 -54.5 1 8 -1 108 362.337 5 ↓

Analogs

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Popular Name: 1-(2-dimethylaminoethyl)-5-(2-hydroxy-4-methyl-benzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-car 1-(2-dimethylaminoethyl)-5-(2-hy…

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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) 1.71 7.24 -78.59 2 8 0 103 372.425 5 ↓
Hi High (pH 8-9.5) 1.71 4.78 -56.4 1 8 -1 102 371.417 5 ↓

Analogs

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Popular Name: 5-(3-chloro-4-methoxy-benzoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxyli 5-(3-chloro-4-methoxy-benzoyl)-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) 0.80 4.1 -53.2 1 8 -1 108 378.792 5 ↓

Analogs

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Popular Name: 5-(2-hydroxy-5-methoxy-benzoyl)-1-isobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic 5-(2-hydroxy-5-methoxy-benzoyl)-…

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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) 2.42 5.96 -60.72 1 8 -1 108 372.401 5 ↓
Hi High (pH 8-9.5) 2.42 7.44 -122.44 0 8 -2 111 371.393 5 ↓

Analogs

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

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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) 0.94 5.14 -56 1 8 -1 108 372.401 6 ↓

Parameters Provided:

ring.id = 400843
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 = 400843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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