UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (9R)-6-oxaspiro[4.5]decan-9-ol (9R)-6-oxaspiro[4.5]decan-9-ol

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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) 1.52 1.51 -3.66 1 2 0 29 156.225 0 ↓

Analogs

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Popular Name: (9S)-6-oxaspiro[4.5]decan-9-ol (9S)-6-oxaspiro[4.5]decan-9-ol

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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) 1.52 1.51 -3.66 1 2 0 29 156.225 0 ↓

Analogs

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Popular Name: 6-oxaspiro[4.5]decan-9-amine 6-oxaspiro[4.5]decan-9-amine

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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) 1.03 2.08 -44.8 3 2 1 37 156.249 0 ↓

Analogs

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Popular Name: 6-oxaspiro[4.5]decan-9-amine 6-oxaspiro[4.5]decan-9-amine

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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) 1.03 2.12 -44.66 3 2 1 37 156.249 0 ↓

Analogs

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Popular Name: N-methyl-6-oxaspiro[4.5]decan-9-amine N-methyl-6-oxaspiro[4.5]decan-9-…

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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) 1.94 3.78 -39.48 2 2 1 26 170.276 1 ↓

Analogs

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Popular Name: N-methyl-6-oxaspiro[4.5]decan-9-amine N-methyl-6-oxaspiro[4.5]decan-9-…

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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) 1.94 3.83 -39.4 2 2 1 26 170.276 1 ↓

Analogs

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Popular Name: (9R)-N-ethyl-6-oxaspiro[4.5]decan-9-amine (9R)-N-ethyl-6-oxaspiro[4.5]deca…

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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) 2.32 4.64 -38.2 2 2 1 26 184.303 2 ↓

Analogs

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Popular Name: (9S)-N-ethyl-6-oxaspiro[4.5]decan-9-amine (9S)-N-ethyl-6-oxaspiro[4.5]deca…

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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) 2.32 4.67 -38.11 2 2 1 26 184.303 2 ↓

Analogs

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Popular Name: (9R)-N-propyl-6-oxaspiro[4.5]decan-9-amine (9R)-N-propyl-6-oxaspiro[4.5]dec…

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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) 2.82 5.39 -39.05 2 2 1 26 198.33 3 ↓

Analogs

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Popular Name: (9S)-N-propyl-6-oxaspiro[4.5]decan-9-amine (9S)-N-propyl-6-oxaspiro[4.5]dec…

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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) 2.82 5.44 -38.98 2 2 1 26 198.33 3 ↓

Analogs

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Popular Name: (9R)-9-chloro-6-oxaspiro[4.5]decane (9R)-9-chloro-6-oxaspiro[4.5]decane

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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) 2.76 5.42 -2.07 0 1 0 9 174.671 0 ↓

Analogs

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Popular Name: (9S)-9-chloro-6-oxaspiro[4.5]decane (9S)-9-chloro-6-oxaspiro[4.5]decane

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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) 2.76 5.42 -2.07 0 1 0 9 174.671 0 ↓

Parameters Provided:

ring.id = 480682
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 = 480682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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