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Analogs

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Popular Name: N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-9-azaspiro[5.5]undecan-3-amine N-[(1S)-1-[4-(2-methoxyethyl)-1,…

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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) 0.51 7.04 -97.95 4 6 2 73 323.485 6 ↓
Hi High (pH 8-9.5) 0.51 5.95 -47.03 3 6 1 69 322.477 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-9-azaspiro[5.5]undecan-3-amine N-[(1R)-1-[4-(2-methoxyethyl)-1,…

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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) 0.51 7.1 -96.53 4 6 2 73 323.485 6 ↓
Hi High (pH 8-9.5) 0.51 6.08 -46.01 3 6 1 69 322.477 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-9-azaspiro[5.5]undecan-3-amine N-[(4-propyl-1,2,4-triazol-3-yl)…

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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) 0.84 8.49 -101.33 4 5 2 64 293.459 5 ↓
Hi High (pH 8-9.5) 0.84 7.3 -47.79 3 5 1 59 292.451 5 ↓

Analogs

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Popular Name: methyl methyl

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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 9.45 -55 1 7 1 65 336.46 4 ↓

Parameters Provided:

ring.id = 526229
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 = 526229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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