UCSF
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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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) 3.21 9.52 -13.73 1 4 0 47 299.418 5 ↓

Analogs

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Popular Name: N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide N-[2-(1-methylpyrrolo[2,3-b]pyri…

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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) 2.83 8.6 -14 1 4 0 47 285.391 4 ↓

Analogs

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Popular Name: N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide N-[2-(1-propylpyrrolo[2,3-b]pyri…

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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) 3.71 10.27 -13.49 1 4 0 47 313.445 6 ↓

Analogs

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Popular Name: N-[2-(1-isobutylpyrrolo[2,3-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide N-[2-(1-isobutylpyrrolo[2,3-b]py…

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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) 3.95 10.83 -13.24 1 4 0 47 327.472 6 ↓

Parameters Provided:

ring.id = 380056
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = bgt
iocnl3 = legacy
iosrct = trackref

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 = 380056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=380056&filter.purchasability=annotated

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