UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-N-propyl-piperidine-4-carboxamide 1-[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) 2.22 9.84 -52.49 2 5 1 51 329.468 6 ↓
Hi High (pH 8-9.5) 2.22 7.6 -12.78 1 5 0 50 328.46 6 ↓

Analogs

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Popular Name: N,N-dimethyl-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide N,N-dimethyl-1-[2-(1-methylpyrro…

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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) 1.15 9.9 -53.53 1 5 1 43 315.441 4 ↓
Hi High (pH 8-9.5) 1.15 7.82 -13.47 0 5 0 41 314.433 4 ↓

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide N-[(1R)-1-methylpropyl]-1-[2-(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) 2.55 10.84 -52.17 2 5 1 51 343.495 6 ↓
Hi High (pH 8-9.5) 2.55 8.61 -12.84 1 5 0 50 342.487 6 ↓

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide N-[(1S)-1-methylpropyl]-1-[2-(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) 2.55 10.84 -52.2 2 5 1 51 343.495 6 ↓
Hi High (pH 8-9.5) 2.55 8.61 -12.69 1 5 0 50 342.487 6 ↓

Analogs

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Popular Name: N-butyl-N-methyl-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide N-butyl-N-methyl-1-[2-(1-methylp…

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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) 3.03 12.51 -52.87 1 5 1 43 357.522 7 ↓
Hi High (pH 8-9.5) 3.03 10.28 -13.32 0 5 0 41 356.514 7 ↓

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-N,N-dimethyl-piperidine-4-carboxamide 1-[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) 1.52 10.96 -52.77 1 5 1 43 329.468 5 ↓
Hi High (pH 8-9.5) 1.52 8.58 -13.43 0 5 0 41 328.46 5 ↓

Analogs

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Popular Name: 1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-N-isopropyl-piperidine-4-carboxamide 1-[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) 2.39 10.79 -52.11 2 5 1 51 343.495 6 ↓
Hi High (pH 8-9.5) 2.39 8.56 -12.77 1 5 0 50 342.487 6 ↓

Parameters Provided:

ring.id = 380409
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 = 380409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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