UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-9-(2,2-dimethylpropyl)-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane (5S)-9-(2,2-dimethylpropyl)-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) 4.12 11.96 -36.88 1 4 1 26 381.588 6 ↓

Analogs

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Popular Name: (5R)-9-(2,2-dimethylpropyl)-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane (5R)-9-(2,2-dimethylpropyl)-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) 4.12 11.97 -38.81 1 4 1 26 381.588 6 ↓

Analogs

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Popular Name: (5S)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,7-diazaspiro[4.5]decane (5S)-3-[[4-(pyrazol-1-ylmethyl)p…

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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) 1.82 9.76 -108.83 3 4 2 39 312.461 4 ↓
Mid Mid (pH 6-8) 1.82 7.26 -41.61 2 4 1 38 311.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,7-diazaspiro[4.5]decane (5R)-3-[[4-(pyrazol-1-ylmethyl)p…

Find On: PubMed — Wikipedia — Google

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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) 1.82 9.73 -105.46 3 4 2 39 312.461 4 ↓
Mid Mid (pH 6-8) 1.82 7.22 -45.49 2 4 1 38 311.453 4 ↓

Parameters Provided:

ring.id = 409899
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 = 409899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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