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Analogs

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Popular Name: 3-[(1S,5S)-3,3,5-trimethylcyclohexoxy]azetidine 3-[(1S,5S)-3,3,5-trimethylcycloh…

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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) 2.50 4.93 -37.17 2 2 1 26 198.33 2 ↓
Hi High (pH 8-9.5) 2.50 3.23 -1.31 1 2 0 21 197.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,5R)-3,3,5-trimethylcyclohexoxy]azetidine 3-[(1S,5R)-3,3,5-trimethylcycloh…

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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) 2.50 5.5 -37.81 2 2 1 26 198.33 2 ↓
Hi High (pH 8-9.5) 2.50 3.8 -0.82 1 2 0 21 197.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,5S)-3,3,5-trimethylcyclohexoxy]azetidine 3-[(1R,5S)-3,3,5-trimethylcycloh…

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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) 2.50 4.88 -37.2 2 2 1 26 198.33 2 ↓
Hi High (pH 8-9.5) 2.50 3.18 -1.29 1 2 0 21 197.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,5R)-3,3,5-trimethylcyclohexoxy]azetidine 3-[(1R,5R)-3,3,5-trimethylcycloh…

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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) 2.50 4.95 -37.18 2 2 1 26 198.33 2 ↓
Hi High (pH 8-9.5) 2.50 3.25 -1.32 1 2 0 21 197.322 2 ↓

Analogs

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Popular Name: 3-[(1S,3R)-3-methylcyclohexoxy]azetidine 3-[(1S,3R)-3-methylcyclohexoxy]a…

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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) 1.84 4.04 -36.79 2 2 1 26 170.276 2 ↓
Hi High (pH 8-9.5) 1.84 2.34 -1.41 1 2 0 21 169.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-methylcyclohexoxy]azetidine 3-[(1S,3S)-3-methylcyclohexoxy]a…

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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) 1.84 4.18 -36.83 2 2 1 26 170.276 2 ↓
Hi High (pH 8-9.5) 1.84 2.48 -1.37 1 2 0 21 169.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-methylcyclohexoxy]azetidine 3-[(1R,3R)-3-methylcyclohexoxy]a…

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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) 1.84 4.19 -36.73 2 2 1 26 170.276 2 ↓
Hi High (pH 8-9.5) 1.84 2.49 -1.4 1 2 0 21 169.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-methylcyclohexoxy]azetidine 3-[(1R,3S)-3-methylcyclohexoxy]a…

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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) 1.84 4.04 -35.17 2 2 1 26 170.276 2 ↓
Hi High (pH 8-9.5) 1.84 2.34 -3.24 1 2 0 21 169.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3R)-3-methoxycyclohexoxy]azetidine 3-[(1S,3R)-3-methoxycyclohexoxy]…

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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) 1.07 2.43 -39.54 2 3 1 35 186.275 3 ↓
Hi High (pH 8-9.5) 1.07 0.73 -3.1 1 3 0 30 185.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-methoxycyclohexoxy]azetidine 3-[(1S,3S)-3-methoxycyclohexoxy]…

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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) 1.07 2.58 -39.73 2 3 1 35 186.275 3 ↓
Hi High (pH 8-9.5) 1.07 0.88 -2.48 1 3 0 30 185.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-methoxycyclohexoxy]azetidine 3-[(1R,3R)-3-methoxycyclohexoxy]…

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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) 1.07 2.58 -36.22 2 3 1 35 186.275 3 ↓
Hi High (pH 8-9.5) 1.07 0.88 -2.42 1 3 0 30 185.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-methoxycyclohexoxy]azetidine 3-[(1R,3S)-3-methoxycyclohexoxy]…

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) 1.07 2.43 -37.73 2 3 1 35 186.275 3 ↓
Hi High (pH 8-9.5) 1.07 0.73 -5.14 1 3 0 30 185.267 3 ↓

Parameters Provided:

ring.id = 371088
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 = 371088 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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