UCSF
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Analogs

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Popular Name: [2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(3-cyclopropylpyrazol-1-yl)-6…

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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) 1.78 7.55 -37.74 3 4 1 58 255.345 3 ↓
Mid Mid (pH 6-8) 1.78 7.15 -7.41 2 4 0 57 254.337 3 ↓

Analogs

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Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(3-cyclopropylpyrazol-1-yl)-6,…

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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) 2.35 9.29 -11.66 0 4 0 55 250.305 2 ↓

Analogs

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Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(3-cyclopropylpyrazol-1-yl)-6,…

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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) 2.40 8.21 -17.93 2 4 0 57 284.388 3 ↓

Analogs

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Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-cyclopropylpyrazol-1-yl)-N'…

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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) 0.91 5.46 -10.42 3 6 0 89 283.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-cyclopropylpyrazol-1-yl)-6,…

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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) 0.98 6.52 -29.19 4 5 1 82 268.344 3 ↓

Parameters Provided:

ring.id = 28524
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 = 28524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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