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Analogs

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Popular Name: 5-(4-isoquinolyl)pyridine-2-carboxylic 5-(4-isoquinolyl)pyridine-2-carb…

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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) 2.56 7.13 -53.08 0 4 -1 66 249.249 2 ↓
Lo Low (pH 4.5-6) 2.56 7.59 -77.28 1 4 0 67 250.257 2 ↓

Analogs

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Popular Name: 5-(4-isoquinolyl)pyridine-3-carboxylic 5-(4-isoquinolyl)pyridine-3-carb…

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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) 2.47 7.11 -48.79 0 4 -1 66 249.249 2 ↓
Lo Low (pH 4.5-6) 2.47 7.57 -63.4 1 4 0 67 250.257 2 ↓

Analogs

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Popular Name: 5-(4-isoquinolyl)pyridin-2-amine 5-(4-isoquinolyl)pyridin-2-amine

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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) 2.75 5.3 -7.48 2 3 0 52 221.263 1 ↓
Mid Mid (pH 6-8) 2.75 5.84 -34.25 3 3 1 53 222.271 1 ↓

Analogs

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Popular Name: 3-(4-isoquinolyl)pyridin-4-amine 3-(4-isoquinolyl)pyridin-4-amine

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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) 2.33 5.09 -33.55 3 3 1 53 222.271 1 ↓
Hi High (pH 8-9.5) 2.33 4.64 -7.01 2 3 0 52 221.263 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-isoquinolyl)pyridin-2-amine 3-(4-isoquinolyl)pyridin-2-amine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.53 5.38 -6.62 2 3 0 52 221.263 1 ↓
Mid Mid (pH 6-8) 2.53 5.85 -33.22 3 3 1 53 222.271 1 ↓

Parameters Provided:

ring.id = 332691
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 = 332691 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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