UCSF
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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-methyl-thiophene-2-carboxamide 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) 2.90 8.9 -13.79 1 4 0 47 313.426 5 ↓

Analogs

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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 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) 2.53 8.23 -14.51 1 4 0 47 299.399 5 ↓

Analogs

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

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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) 2.53 7.99 -14.04 1 4 0 47 299.399 4 ↓

Analogs

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Popular Name: 5-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 5-chloro-N-[2-(1-methylpyrrolo[2…

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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) 2.95 7.93 -12.84 1 4 0 47 319.817 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 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) 2.15 7.31 -14.72 1 4 0 47 285.372 4 ↓

Analogs

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Popular Name: 3-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 3-methyl-N-[2-(1-propylpyrrolo[2…

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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) 3.41 9.65 -13.59 1 4 0 47 327.453 6 ↓

Analogs

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Popular Name: 5-chloro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 5-chloro-N-[2-(1-propylpyrrolo[2…

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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) 3.83 9.59 -12.45 1 4 0 47 347.871 6 ↓

Analogs

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Popular Name: N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 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) 3.03 8.98 -14.28 1 4 0 47 313.426 6 ↓

Analogs

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Popular Name: N-[2-(1-isobutylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-methyl-thiophene-2-carboxamide 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) 3.65 10.02 -12.86 1 4 0 47 341.48 6 ↓

Analogs

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Popular Name: 5-chloro-N-[2-(1-isobutylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 5-chloro-N-[2-(1-isobutylpyrrolo…

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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) 4.08 10.17 -12.17 1 4 0 47 361.898 6 ↓

Analogs

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Popular Name: N-[2-(1-isobutylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide 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) 3.27 9.35 -13.59 1 4 0 47 327.453 6 ↓

Parameters Provided:

ring.id = 380074
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 = 380074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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