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Analogs

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Popular Name: 2-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)-1-piperidyl]methyl]indolizine-1-carbonitrile 2-[[(2R)-2-(1,2,4-triazol-1-ylme…

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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) 1.49 13.38 -47.8 1 6 1 63 321.408 4 ↓
Mid Mid (pH 6-8) 1.49 11.21 -14.62 0 6 0 62 320.4 4 ↓

Analogs

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Popular Name: 2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)-1-piperidyl]methyl]indolizine-1-carbonitrile 2-[[(2S)-2-(1,2,4-triazol-1-ylme…

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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) 1.49 12.99 -49.66 1 6 1 63 321.408 4 ↓
Mid Mid (pH 6-8) 1.49 10.86 -17.18 0 6 0 62 320.4 4 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]methyl]indolizine-1-carbonitrile 2-[[(2S)-2-[(3,5-dimethyl-1,2,4-…

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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) 1.66 12.08 -50.11 1 6 1 63 349.462 4 ↓
Mid Mid (pH 6-8) 1.66 9.92 -18.09 0 6 0 62 348.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]methyl]indolizine-1-carbonitrile 2-[[(2R)-2-[(3,5-dimethyl-1,2,4-…

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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) 1.66 13.05 -51.39 1 6 1 63 349.462 4 ↓
Mid Mid (pH 6-8) 1.66 10.88 -17.37 0 6 0 62 348.454 4 ↓

Parameters Provided:

ring.id = 407567
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 = 407567 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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