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Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-ol 2,6-dioxaspiro[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) 0.23 -0.99 -5.23 1 3 0 39 158.197 0 ↓

Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-ol 2,6-dioxaspiro[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) 0.23 -1.03 -4.66 1 3 0 39 158.197 0 ↓

Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-ol 2,6-dioxaspiro[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) 0.23 -0.97 -4.83 1 3 0 39 158.197 0 ↓

Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-ol 2,6-dioxaspiro[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) 0.23 -1.03 -4.95 1 3 0 39 158.197 0 ↓

Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-amine 2,6-dioxaspiro[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) -0.26 -0.41 -49.1 3 3 1 46 158.221 0 ↓

Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-amine 2,6-dioxaspiro[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) -0.26 -0.45 -46.87 3 3 1 46 158.221 0 ↓

Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-amine 2,6-dioxaspiro[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) -0.26 -0.39 -48.01 3 3 1 46 158.221 0 ↓

Analogs

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Popular Name: 2,6-dioxaspiro[4.5]decan-9-amine 2,6-dioxaspiro[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) -0.26 -0.46 -47.6 3 3 1 46 158.221 0 ↓

Analogs

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Popular Name: (5S,9R)-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine (5S,9R)-N-methyl-2,6-dioxaspiro[…

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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) 0.65 1.25 -41.57 2 3 1 35 172.248 1 ↓

Analogs

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Popular Name: (5S,9S)-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine (5S,9S)-N-methyl-2,6-dioxaspiro[…

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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) 0.65 1.25 -42.3 2 3 1 35 172.248 1 ↓

Analogs

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Popular Name: (5R,9R)-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine (5R,9R)-N-methyl-2,6-dioxaspiro[…

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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) 0.65 1.31 -43.72 2 3 1 35 172.248 1 ↓

Analogs

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Popular Name: (5R,9S)-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine (5R,9S)-N-methyl-2,6-dioxaspiro[…

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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) 0.65 1.32 -42.67 2 3 1 35 172.248 1 ↓

Analogs

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Popular Name: (5S,9R)-N-ethyl-2,6-dioxaspiro[4.5]decan-9-amine (5S,9R)-N-ethyl-2,6-dioxaspiro[4…

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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) 1.02 2.1 -40.21 2 3 1 35 186.275 2 ↓

Analogs

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Popular Name: (5S,9S)-N-ethyl-2,6-dioxaspiro[4.5]decan-9-amine (5S,9S)-N-ethyl-2,6-dioxaspiro[4…

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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) 1.02 2.1 -41.05 2 3 1 35 186.275 2 ↓

Analogs

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Popular Name: (5R,9R)-N-ethyl-2,6-dioxaspiro[4.5]decan-9-amine (5R,9R)-N-ethyl-2,6-dioxaspiro[4…

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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) 1.02 2.15 -42.51 2 3 1 35 186.275 2 ↓

Analogs

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Popular Name: (5R,9S)-N-ethyl-2,6-dioxaspiro[4.5]decan-9-amine (5R,9S)-N-ethyl-2,6-dioxaspiro[4…

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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) 1.02 2.17 -41.4 2 3 1 35 186.275 2 ↓

Analogs

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Popular Name: (5S,9R)-N-propyl-2,6-dioxaspiro[4.5]decan-9-amine (5S,9R)-N-propyl-2,6-dioxaspiro[…

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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 2.86 -41.16 2 3 1 35 200.302 3 ↓

Analogs

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Popular Name: (5S,9S)-N-propyl-2,6-dioxaspiro[4.5]decan-9-amine (5S,9S)-N-propyl-2,6-dioxaspiro[…

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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 2.86 -41.98 2 3 1 35 200.302 3 ↓

Analogs

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Popular Name: (5R,9R)-N-propyl-2,6-dioxaspiro[4.5]decan-9-amine (5R,9R)-N-propyl-2,6-dioxaspiro[…

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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 2.91 -43.44 2 3 1 35 200.302 3 ↓

Analogs

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Popular Name: (5R,9S)-N-propyl-2,6-dioxaspiro[4.5]decan-9-amine (5R,9S)-N-propyl-2,6-dioxaspiro[…

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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 2.93 -42.28 2 3 1 35 200.302 3 ↓

Analogs

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Popular Name: (5S,9R)-9-chloro-2,6-dioxaspiro[4.5]decane (5S,9R)-9-chloro-2,6-dioxaspiro[…

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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) 1.47 2.91 -3.85 0 2 0 18 176.643 0 ↓

Analogs

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Popular Name: (5R,9R)-9-chloro-2,6-dioxaspiro[4.5]decane (5R,9R)-9-chloro-2,6-dioxaspiro[…

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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) 1.47 2.86 -3.2 0 2 0 18 176.643 0 ↓

Analogs

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Popular Name: (5S,9S)-9-chloro-2,6-dioxaspiro[4.5]decane (5S,9S)-9-chloro-2,6-dioxaspiro[…

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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) 1.47 2.93 -3.45 0 2 0 18 176.643 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,9S)-9-chloro-2,6-dioxaspiro[4.5]decane (5R,9S)-9-chloro-2,6-dioxaspiro[…

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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) 1.47 2.86 -3.44 0 2 0 18 176.643 0 ↓

Parameters Provided:

ring.id = 480760
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 = 480760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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