UCSF
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Popular Name: N-(2-furylmethyl)-2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)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) 1.49 6.03 -15.29 1 5 0 55 242.282 5 ↓

Analogs

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Popular Name: N-[(5-methyl-2-furyl)methyl]-2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethanamine N-[(5-methyl-2-furyl)methyl]-2-(…

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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) 1.71 6.86 -14.45 1 5 0 55 256.309 5 ↓
Lo Low (pH 4.5-6) 1.71 8.28 -57.07 2 5 1 60 257.317 5 ↓

Analogs

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Popular Name: N-[(5-bromo-2-furyl)methyl]-2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethanamine N-[(5-bromo-2-furyl)methyl]-2-([…

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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) 2.42 6.76 -14.33 1 5 0 55 321.178 5 ↓

Analogs

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Popular Name: (1R)-1-(2-furyl)-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)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) 2.05 6.73 -13.8 1 5 0 55 256.309 5 ↓

Analogs

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Popular Name: (1S)-1-(2-furyl)-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)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) 2.05 6.72 -14.94 1 5 0 55 256.309 5 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-2-furyl)-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]ethanamine (1R)-1-(5-methyl-2-furyl)-N-[2-(…

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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) 2.27 7.55 -14 1 5 0 55 270.336 5 ↓
Lo Low (pH 4.5-6) 2.27 8.85 -53.79 2 5 1 60 271.344 5 ↓

Analogs

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Popular Name: (1S)-1-(5-methyl-2-furyl)-N-[2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethyl]ethanamine (1S)-1-(5-methyl-2-furyl)-N-[2-(…

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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) 2.27 7.54 -14.09 1 5 0 55 270.336 5 ↓
Lo Low (pH 4.5-6) 2.27 8.85 -54.72 2 5 1 60 271.344 5 ↓

Analogs

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Popular Name: N-[(5-nitro-2-furyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine N-[(5-nitro-2-furyl)methyl]-2-([…

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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) 1.57 6.82 -19.52 1 8 0 101 287.279 6 ↓

Analogs

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Popular Name: N-[(5-iodo-2-furyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine N-[(5-iodo-2-furyl)methyl]-2-([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) 2.70 7.31 -14 1 5 0 55 368.178 5 ↓

Analogs

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Popular Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine N-[[5-(methylsulfanylmethyl)-2-f…

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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) 2.23 8.16 -17.57 1 5 0 55 302.403 7 ↓

Parameters Provided:

ring.id = 25302
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 = 25302 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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