UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-ethylpiperazin-1-yl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethanone 1-(4-ethylpiperazin-1-yl)-2-(1-e…

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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) 1.43 9.8 -51.02 1 5 1 43 301.414 4 ↓
Mid Mid (pH 6-8) 1.43 7.59 -14.09 0 5 0 41 300.406 4 ↓

Analogs

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Popular Name: 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1-(4-isopropylpiperazin-1-yl)ethanone 2-(1-ethylpyrrolo[2,3-b]pyridin-…

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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) 1.73 10.3 -49.11 1 5 1 43 315.441 4 ↓
Mid Mid (pH 6-8) 1.73 8.16 -13.89 0 5 0 41 314.433 4 ↓

Analogs

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Popular Name: 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone 2-[1-(2-methoxyethyl)pyrrolo[2,3…

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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) 0.66 8.19 -52.99 1 6 1 52 317.413 5 ↓
Mid Mid (pH 6-8) 0.66 5.84 -14.56 0 6 0 51 316.405 5 ↓

Analogs

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Popular Name: 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone 1-(4-ethylpiperazin-1-yl)-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) 1.04 8.85 -51.92 1 6 1 52 331.44 6 ↓
Mid Mid (pH 6-8) 1.04 6.64 -14.45 0 6 0 51 330.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-isopropylpiperazin-1-yl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone 1-(4-isopropylpiperazin-1-yl)-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) 1.34 9.35 -50.09 1 6 1 52 345.467 6 ↓
Mid Mid (pH 6-8) 1.34 7.21 -14.24 0 6 0 51 344.459 6 ↓

Parameters Provided:

ring.id = 378263
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 = 378263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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