UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-azaspiro[4.4]nonane hydrochloride 1-azaspiro[4.4]nonane hydrochloride

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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) 1.97 4.12 -32.04 2 1 1 17 126.223 0 ↓

Analogs

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Popular Name: (3R)-3-methyl-4-azaspiro[4.4]nonane (3R)-3-methyl-4-azaspiro[4.4]nonane

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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) 2.30 4.78 -30.01 2 1 1 17 140.25 0 ↓

Analogs

4200227
4200227
34557639
34557639
34557641
34557641

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Popular Name: 1-azaspiro[4.4]nonane, 7,8-dimethyl-1-(phenylmethyl)-, hydrochloride 1-azaspiro[4.4]nonane, 7,8-dimet…

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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) 4.10 2.08 -30.73 1 1 1 4 244.402 2 ↓

Analogs

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Popular Name: (2S)-2-phenyl-4-azaspiro[4.4]nonane (2S)-2-phenyl-4-azaspiro[4.4]nonane

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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) 3.77 7.54 -37.15 2 1 1 17 202.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-4-azaspiro[4.4]nonane (2R)-2-phenyl-4-azaspiro[4.4]nonane

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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) 3.77 7.58 -37.22 2 1 1 17 202.321 1 ↓

Parameters Provided:

ring.id = 24608
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 = 24608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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