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Popular Name: (2S)-N-(2-furylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine (2S)-N-(2-furylmethyl)-2-([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) 2.49 8.88 -51.61 2 5 1 60 289.384 6 ↓
Hi High (pH 8-9.5) 2.49 7.49 -14.42 1 5 0 55 288.376 6 ↓

Analogs

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Popular Name: (2R)-N-(2-furylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine (2R)-N-(2-furylmethyl)-2-([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) 2.49 8.89 -51.65 2 5 1 60 289.384 6 ↓
Hi High (pH 8-9.5) 2.49 7.63 -14.19 1 5 0 55 288.376 6 ↓

Analogs

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Popular Name: (1S)-1-(2-furyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]ethanamine (1S)-1-(2-furyl)-N-[2-([1,2,4]tr…

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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) 2.68 8.6 -48.79 2 5 1 60 289.384 6 ↓
Hi High (pH 8-9.5) 2.68 7.38 -14.68 1 5 0 55 288.376 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-furyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]ethanamine (1R)-1-(2-furyl)-N-[2-([1,2,4]tr…

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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) 2.68 8.6 -48.76 2 5 1 60 289.384 6 ↓
Hi High (pH 8-9.5) 2.68 7.41 -15.11 1 5 0 55 288.376 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanamine N-(2-furylmethyl)-2-([1,2,4]tria…

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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) 2.12 8.11 -51.73 2 5 1 60 275.357 6 ↓
Hi High (pH 8-9.5) 2.12 6.74 -14.75 1 5 0 55 274.349 6 ↓

Parameters Provided:

ring.id = 214286
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 = 214286 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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