UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropylmethyl)amino]acetic 2-[8-azaspiro[4.5]decane-8-carbo…

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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) 1.33 9.58 -45.39 0 5 -1 64 293.387 4 ↓

Analogs

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Popular Name: (2S)-2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-cyclopropyl-acetic (2S)-2-(8-azaspiro[4.5]decane-8-…

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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) 1.08 7.88 -55.84 1 5 -1 72 279.36 3 ↓

Analogs

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Popular Name: (2R)-2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-cyclopropyl-acetic (2R)-2-(8-azaspiro[4.5]decane-8-…

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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) 1.08 7.9 -56.72 1 5 -1 72 279.36 3 ↓

Analogs

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Popular Name: (2R)-2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-cyclopropyl-propanoic (2R)-2-(8-azaspiro[4.5]decane-8-…

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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) 1.00 8.58 -59.1 1 5 -1 72 293.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-cyclopropyl-propanoic (2S)-2-(8-azaspiro[4.5]decane-8-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.00 8.45 -56.31 1 5 -1 72 293.387 3 ↓

Parameters Provided:

ring.id = 320325
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 = 320325 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=320325&filter.purchasability=annotated

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