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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-N-(2-furylmethyl)ethanamine 2-(8-azaspiro[4.5]decan-8-yl)-N-…

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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) 2.67 8.72 -121.5 3 3 2 34 264.413 5 ↓
Mid Mid (pH 6-8) 2.67 7.35 -37.56 2 3 1 30 263.405 5 ↓

Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-N-(2-furylmethyl)propan-1-amine (2S)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.00 9.33 -120.46 3 3 2 34 278.44 5 ↓
Mid Mid (pH 6-8) 3.00 7.95 -33.49 2 3 1 30 277.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-N-(2-furylmethyl)propan-1-amine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.00 9.34 -121.22 3 3 2 34 278.44 5 ↓
Mid Mid (pH 6-8) 3.00 8.08 -32.43 2 3 1 30 277.432 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-(2-furyl)ethanamine (1S)-N-[2-(8-azaspiro[4.5]decan-…

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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) 3.23 9.22 -119.34 3 3 2 34 278.44 5 ↓
Hi High (pH 8-9.5) 3.23 6.96 -37.28 2 3 1 33 277.432 5 ↓
Mid Mid (pH 6-8) 3.23 8 -37.04 2 3 1 30 277.432 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-(2-furyl)ethanamine (1R)-N-[2-(8-azaspiro[4.5]decan-…

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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) 3.23 9.22 -119.67 3 3 2 34 278.44 5 ↓
Hi High (pH 8-9.5) 3.23 6.97 -37.34 2 3 1 33 277.432 5 ↓
Mid Mid (pH 6-8) 3.23 8.04 -37.92 2 3 1 30 277.432 5 ↓

Parameters Provided:

ring.id = 319873
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 = 319873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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